2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine

C14H11ClN4O — CID 58979562

IUPAC2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine
SMILESCOc1ccc(-c2ccn(-c3ccnc(Cl)n3)n2)cc1
InChIInChI=1S/C14H11ClN4O/c1-20-11-4-2-10(3-5-11)12-7-9-19(18-12)13-6-8-16-14(15)17-13/h2-9H,1H3
InChIKeyXPWCYTUPBBQDJD-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.99
Rot. Bonds3

About 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine

2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine (PubChem CID 58979562) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine
PubChem CID58979562
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine
SMILESCOc1ccc(-c2ccn(-c3ccnc(Cl)n3)n2)cc1
InChIInChI=1S/C14H11ClN4O/c1-20-11-4-2-10(3-5-11)12-7-9-19(18-12)13-6-8-16-14(15)17-13/h2-9H,1H3
InChIKeyXPWCYTUPBBQDJD-UHFFFAOYSA-N
XLogP2.99
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine?
The IUPAC name of 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine (CID 58979562) is 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine.
What is the SMILES notation for 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine?
The canonical SMILES for 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine is COc1ccc(-c2ccn(-c3ccnc(Cl)n3)n2)cc1.
What is the InChIKey of 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine?
The InChIKey is XPWCYTUPBBQDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c1-20-11-4-2-10(3-5-11)12-7-9-19(18-12)13-6-8-16-14(15)17-13/h2-9H,1H3.
What are the key properties of 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine?
2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine has a molecular weight of 286.72 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[3-(4-methoxyphenyl)pyrazol-1-yl]pyrimidine is sourced from PubChem (CID 58979562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).