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

C14H10N4O — CID 58662275

IUPAC2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C14H10N4O/c1-9-11(8-15)14-16-12(7-13(19)18(14)17-9)10-5-3-2-4-6-10/h2-7,17H,1H3
InChIKeySMSWHRXOAASNCB-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.87
Rot. Bonds1

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

2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 58662275) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID58662275
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1C#N
InChIInChI=1S/C14H10N4O/c1-9-11(8-15)14-16-12(7-13(19)18(14)17-9)10-5-3-2-4-6-10/h2-7,17H,1H3
InChIKeySMSWHRXOAASNCB-UHFFFAOYSA-N
XLogP1.87
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.87
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-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 58662275) is 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is Cc1[nH]n2c(=O)cc(-c3ccccc3)nc2c1C#N.
What is the InChIKey of 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SMSWHRXOAASNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-9-11(8-15)14-16-12(7-13(19)18(14)17-9)10-5-3-2-4-6-10/h2-7,17H,1H3.
What are the key properties of 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 250.26 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 58662275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).