2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C15H12N4 — CID 706764

IUPAC2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(-c2c(C#N)cnc3cc(C)nn23)c1
InChIInChI=1S/C15H12N4/c1-10-4-3-5-12(6-10)15-13(8-16)9-17-14-7-11(2)18-19(14)15/h3-7,9H,1-2H3
InChIKeyWRLWUIPPNDCCGO-UHFFFAOYSA-N
MW248.29 g/mol
LogP2.88
Rot. Bonds1

About 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 706764) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID706764
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1cccc(-c2c(C#N)cnc3cc(C)nn23)c1
InChIInChI=1S/C15H12N4/c1-10-4-3-5-12(6-10)15-13(8-16)9-17-14-7-11(2)18-19(14)15/h3-7,9H,1-2H3
InChIKeyWRLWUIPPNDCCGO-UHFFFAOYSA-N
XLogP2.88
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 706764) is 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1cccc(-c2c(C#N)cnc3cc(C)nn23)c1.
What is the InChIKey of 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is WRLWUIPPNDCCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4/c1-10-4-3-5-12(6-10)15-13(8-16)9-17-14-7-11(2)18-19(14)15/h3-7,9H,1-2H3.
What are the key properties of 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylphenyl)pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 706764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).