2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C8H6N4 — CID 14501859

IUPAC2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2cccnc2c1C#N
InChIInChI=1S/C8H6N4/c1-6-7(5-9)8-10-3-2-4-12(8)11-6/h2-4H,1H3
InChIKeyWZPVLOVVCCUEDS-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.91
Rot. Bonds

About 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 14501859) has the molecular formula C8H6N4 and a molecular weight of 158.16 g/mol. Its IUPAC name is 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID14501859
Molecular FormulaC8H6N4
Molecular Weight158.16 g/mol
Exact Mass158.06
IUPAC Name2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1nn2cccnc2c1C#N
InChIInChI=1S/C8H6N4/c1-6-7(5-9)8-10-3-2-4-12(8)11-6/h2-4H,1H3
InChIKeyWZPVLOVVCCUEDS-UHFFFAOYSA-N
XLogP0.91
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylpyrazolo[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 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 14501859) is 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1nn2cccnc2c1C#N.
What is the InChIKey of 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is WZPVLOVVCCUEDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4/c1-6-7(5-9)8-10-3-2-4-12(8)11-6/h2-4H,1H3.
What are the key properties of 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 158.16 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 14501859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).