2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine

C15H14N4O2 — CID 29182998

IUPAC2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine
SMILESCOc1ncc(-c2cccc(-c3ccn[nH]3)c2)c(OC)n1
InChIInChI=1S/C15H14N4O2/c1-20-14-12(9-16-15(18-14)21-2)10-4-3-5-11(8-10)13-6-7-17-19-13/h3-9H,1-2H3,(H,17,19)
InChIKeyYWVOPWNPIBUIJC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.55
Rot. Bonds4

About 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine

2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine (PubChem CID 29182998) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine
PubChem CID29182998
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine
SMILESCOc1ncc(-c2cccc(-c3ccn[nH]3)c2)c(OC)n1
InChIInChI=1S/C15H14N4O2/c1-20-14-12(9-16-15(18-14)21-2)10-4-3-5-11(8-10)13-6-7-17-19-13/h3-9H,1-2H3,(H,17,19)
InChIKeyYWVOPWNPIBUIJC-UHFFFAOYSA-N
XLogP2.55
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]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 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine?
The IUPAC name of 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine (CID 29182998) is 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine?
The canonical SMILES for 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine is COc1ncc(-c2cccc(-c3ccn[nH]3)c2)c(OC)n1.
What is the InChIKey of 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine?
The InChIKey is YWVOPWNPIBUIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-20-14-12(9-16-15(18-14)21-2)10-4-3-5-11(8-10)13-6-7-17-19-13/h3-9H,1-2H3,(H,17,19).
What are the key properties of 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine?
2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine has a molecular weight of 282.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-5-[3-(1H-pyrazol-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 29182998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).