N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

C14H12N4O — CID 110470884

IUPACN-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc[nH]1
InChIInChI=1S/C14H12N4O/c19-14(13-7-4-8-15-13)17-11-9-16-18(10-11)12-5-2-1-3-6-12/h1-10,15H,(H,17,19)
InChIKeyIFAITZUAJRGNJB-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.45
Rot. Bonds3

About N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide

N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (PubChem CID 110470884) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
PubChem CID110470884
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC NameN-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc[nH]1
InChIInChI=1S/C14H12N4O/c19-14(13-7-4-8-15-13)17-11-9-16-18(10-11)12-5-2-1-3-6-12/h1-10,15H,(H,17,19)
InChIKeyIFAITZUAJRGNJB-UHFFFAOYSA-N
XLogP2.45
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide
CID 86848828
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
2-[4-(1H-pyrrole-2-carbonylamino)pyrazol-1-yl]acetic acid
CID 61018085
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
2,6-difluoro-N-[1-(1-phenylpyrazol-4-yl)pyrazol-4-yl]benzamide
CID 17088872
N-(1-phenylpyrazol-4-yl)quinoxaline-2-carboxamide
CID 71884776
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
5-bromo-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 99816223
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
1-phenyl-N'-(1H-pyrrole-2-carbonyl)triazole-4-carbohydrazide
CID 78861023
6-methyl-N-(1-phenylpyrazol-4-yl)pyridine-2-carboxamide
CID 110472220
4-[(4-methylphenyl)sulfamoyl]-N-(1-phenylpyrazol-4-yl)benzamide
CID 47081142

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide (CID 110470884) is N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is O=C(Nc1cnn(-c2ccccc2)c1)c1ccc[nH]1.
What is the InChIKey of N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is IFAITZUAJRGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c19-14(13-7-4-8-15-13)17-11-9-16-18(10-11)12-5-2-1-3-6-12/h1-10,15H,(H,17,19).
What are the key properties of N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide?
N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 252.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpyrazol-4-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110470884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).