N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide

C17H13N5O — CID 53040964

IUPACN-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(C3CC3)n3nccc3n2)c1
InChIInChI=1S/C17H13N5O/c18-10-11-2-1-3-13(8-11)20-17(23)14-9-15(12-4-5-12)22-16(21-14)6-7-19-22/h1-3,6-9,12H,4-5H2,(H,20,23)
InChIKeyWUFFNWLOBQPHLA-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.73
Rot. Bonds3

About N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide

N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 53040964) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID53040964
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC NameN-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESN#Cc1cccc(NC(=O)c2cc(C3CC3)n3nccc3n2)c1
InChIInChI=1S/C17H13N5O/c18-10-11-2-1-3-13(8-11)20-17(23)14-9-15(12-4-5-12)22-16(21-14)6-7-19-22/h1-3,6-9,12H,4-5H2,(H,20,23)
InChIKeyWUFFNWLOBQPHLA-UHFFFAOYSA-N
XLogP2.73
TPSA83.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200314
6-N-(3-chlorophenyl)-2-N-(3-cyanophenyl)pyridine-2,6-dicarboxamide
CID 109100844
N-(3-cyanophenyl)-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298766
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-2-methyl-6-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109365824
N-(3-cyanophenyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321717
6-(azepan-1-yl)-N-(3-cyanophenyl)-2-phenylpyrimidine-4-carboxamide
CID 112854430
N-(3-cyanophenyl)-2-phenyl-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 112852927
2-N-(3-cyanophenyl)-6-N-(2,6-difluorophenyl)pyridine-2,6-dicarboxamide
CID 109101113
N-(3-cyanophenyl)-1-methylimidazole-4-carboxamide
CID 113264926
5-chloro-N-(3-cyanophenyl)pyrazine-2-carboxamide
CID 103803374
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 53040964) is N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide is N#Cc1cccc(NC(=O)c2cc(C3CC3)n3nccc3n2)c1.
What is the InChIKey of N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is WUFFNWLOBQPHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-10-11-2-1-3-13(8-11)20-17(23)14-9-15(12-4-5-12)22-16(21-14)6-7-19-22/h1-3,6-9,12H,4-5H2,(H,20,23).
What are the key properties of N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide?
N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 303.33 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-7-cyclopropylpyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 53040964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).