7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H10N4O2 — CID 137004038

IUPAC7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccccc1-c1c(O)n2ncc(C#N)c2[nH]c1=O
InChIInChI=1S/C14H10N4O2/c1-8-4-2-3-5-10(8)11-13(19)17-12-9(6-15)7-16-18(12)14(11)20/h2-5,7,20H,1H3,(H,17,19)
InChIKeyWSROQKCFXXKLET-UHFFFAOYSA-N
MW266.26 g/mol
LogP1.58
Rot. Bonds1

About 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137004038) has the molecular formula C14H10N4O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137004038
Molecular FormulaC14H10N4O2
Molecular Weight266.26 g/mol
Exact Mass266.08
IUPAC Name7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1ccccc1-c1c(O)n2ncc(C#N)c2[nH]c1=O
InChIInChI=1S/C14H10N4O2/c1-8-4-2-3-5-10(8)11-13(19)17-12-9(6-15)7-16-18(12)14(11)20/h2-5,7,20H,1H3,(H,17,19)
InChIKeyWSROQKCFXXKLET-UHFFFAOYSA-N
XLogP1.58
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile 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 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137004038) is 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1ccccc1-c1c(O)n2ncc(C#N)c2[nH]c1=O.
What is the InChIKey of 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is WSROQKCFXXKLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O2/c1-8-4-2-3-5-10(8)11-13(19)17-12-9(6-15)7-16-18(12)14(11)20/h2-5,7,20H,1H3,(H,17,19).
What are the key properties of 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 266.26 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-6-(2-methylphenyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137004038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).