Home > Compound List > Compound details
857641-45-3 molecular structure
click picture or here to close

2-(4-methyl-1H-pyrazol-1-yl)pyrimidine

ChemBase ID: 803921
Molecular Formular: C8H8N4
Molecular Mass: 160.17592
Monoisotopic Mass: 160.07489628
SMILES and InChIs

SMILES:
c1cnc(nc1)n1ncc(c1)C
Canonical SMILES:
Cc1cnn(c1)c1ncccn1
InChI:
InChI=1S/C8H8N4/c1-7-5-11-12(6-7)8-9-3-2-4-10-8/h2-6H,1H3
InChIKey:
VVVMBBFSFZKFCD-UHFFFAOYSA-N

Cite this record

CBID:803921 http://www.chembase.cn/molecule-803921.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-methyl-1H-pyrazol-1-yl)pyrimidine
IUPAC Traditional name
2-(4-methylpyrazol-1-yl)pyrimidine
Synonyms
2-(4-METHYL-1H-PYRAZOL-1-YL)PYRIMIDINE
CAS Number
857641-45-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O20673 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O20673 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.3277377  LogD (pH = 7.4) 1.327761 
Log P 1.3277614  Molar Refractivity 46.0712 cm3
Polarizability 16.724566 Å3 Polar Surface Area 43.6 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle