5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H10N4 — CID 1079878

IUPAC5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)n2ncc(C#N)c2n1
InChIInChI=1S/C14H10N4/c1-10-7-13(11-5-3-2-4-6-11)18-14(17-10)12(8-15)9-16-18/h2-7,9H,1H3
InChIKeyYLUWQESESYCEMX-UHFFFAOYSA-N
MW234.26 g/mol
LogP2.58
Rot. Bonds1

About 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 1079878) has the molecular formula C14H10N4 and a molecular weight of 234.26 g/mol. Its IUPAC name is 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID1079878
Molecular FormulaC14H10N4
Molecular Weight234.26 g/mol
Exact Mass234.09
IUPAC Name5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1cc(-c2ccccc2)n2ncc(C#N)c2n1
InChIInChI=1S/C14H10N4/c1-10-7-13(11-5-3-2-4-6-11)18-14(17-10)12(8-15)9-16-18/h2-7,9H,1H3
InChIKeyYLUWQESESYCEMX-UHFFFAOYSA-N
XLogP2.58
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-methyl-7-phenylpyrazolo[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

Related Compounds

7-(4-bromophenyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 6462785
7-(4-fluorophenyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidine
CID 42640807
7-amino-5-phenylpyrazolo[1,5-a]pyrimidine-3,6-dicarbonitrile
CID 14950768
3-iodo-2,5-dimethyl-7-phenylpyrazolo[1,5-a]pyrimidine
CID 86012669
5,7-dichloro-6-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514541
5,7-dichloro-6-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 114514531
7-methyl-6-pyridin-2-ylpyrazolo[1,5-a]pyrimidine-3,5-dicarbonitrile
CID 25022674
1-methyl-5-phenylpyrazole-4-carbonitrile
CID 139271334
7-chloro-5-methyl-6-(2-phenoxyethyl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 82274397
6-(4-phenoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 15957948
N-(4-cyano-1-phenylpyrazol-5-yl)-7-(difluoromethyl)-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19447094
3,6-dimethyl-1-phenylpyrazolo[3,4-b]pyridine-4-carbonitrile
CID 45123383

Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 1079878) is 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1cc(-c2ccccc2)n2ncc(C#N)c2n1.
What is the InChIKey of 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is YLUWQESESYCEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4/c1-10-7-13(11-5-3-2-4-6-11)18-14(17-10)12(8-15)9-16-18/h2-7,9H,1H3.
What are the key properties of 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 234.26 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-phenylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 1079878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).