2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

C20H14N4O — CID 666499

IUPAC2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O/c1-13-17(14-8-4-2-5-9-14)19-22-18(15-10-6-3-7-11-15)16(12-21)20(25)24(19)23-13/h2-11,23H,1H3
InChIKeyQVBVSYMWCATJHT-UHFFFAOYSA-N
MW326.36 g/mol
LogP3.54
Rot. Bonds2

About 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile

2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile (PubChem CID 666499) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile.

Molecular Properties

Compound Name2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
PubChem CID666499
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile
SMILESCc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1
InChIInChI=1S/C20H14N4O/c1-13-17(14-8-4-2-5-9-14)19-22-18(15-10-6-3-7-11-15)16(12-21)20(25)24(19)23-13/h2-11,23H,1H3
InChIKeyQVBVSYMWCATJHT-UHFFFAOYSA-N
XLogP3.54
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The IUPAC name of 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile (CID 666499) is 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile.
What is the SMILES notation for 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The canonical SMILES for 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile is Cc1[nH]n2c(=O)c(C#N)c(-c3ccccc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
The InChIKey is QVBVSYMWCATJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O/c1-13-17(14-8-4-2-5-9-14)19-22-18(15-10-6-3-7-11-15)16(12-21)20(25)24(19)23-13/h2-11,23H,1H3.
What are the key properties of 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile?
2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-3,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidine-6-carbonitrile is sourced from PubChem (CID 666499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).