N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H12N4O2 — CID 16734067

IUPACN-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,16H,1H3,(H,15,20)
InChIKeyOVARIJVUYPVWTQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.05
Rot. Bonds2

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

N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 16734067) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID16734067
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC NameN-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12
InChIInChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,16H,1H3,(H,15,20)
InChIKeyOVARIJVUYPVWTQ-UHFFFAOYSA-N
XLogP1.05
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 16734067) is N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNC(=O)c1c[nH]n2c(=O)cc(-c3ccccc3)nc12.
What is the InChIKey of N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OVARIJVUYPVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-15-14(20)10-8-16-18-12(19)7-11(17-13(10)18)9-5-3-2-4-6-9/h2-8,16H,1H3,(H,15,20).
What are the key properties of N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 268.28 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-7-oxo-5-phenyl-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 16734067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).