5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

C20H19BrN4O — CID 75453052

IUPAC5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccccc2)c1Br
InChIInChI=1S/C20H19BrN4O/c21-19-18(14-22-25(19)16-8-2-1-3-9-16)20(26)23-15-7-6-10-17(13-15)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,26)
InChIKeyFSHFKJLFNSSCIH-UHFFFAOYSA-N
MW411.30 g/mol
LogP4.49
Rot. Bonds4

About 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide

5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (PubChem CID 75453052) has the molecular formula C20H19BrN4O and a molecular weight of 411.30 g/mol. Its IUPAC name is 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
PubChem CID75453052
Molecular FormulaC20H19BrN4O
Molecular Weight411.30 g/mol
Exact Mass410.07
IUPAC Name5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
SMILESO=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccccc2)c1Br
InChIInChI=1S/C20H19BrN4O/c21-19-18(14-22-25(19)16-8-2-1-3-9-16)20(26)23-15-7-6-10-17(13-15)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,26)
InChIKeyFSHFKJLFNSSCIH-UHFFFAOYSA-N
XLogP4.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 28987913
5-methyl-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrazole-4-carboxamide
CID 41420930
3-chloro-N-(3-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 66462445
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide
CID 55877479
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-(3-methylphenyl)-1,5-diphenylpyrazole-4-carboxamide
CID 985834
2-methyl-N-(3-piperidin-1-ylphenyl)quinoline-3-carboxamide
CID 86832456
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684
5-[(2-chlorobenzoyl)amino]-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109213
5-benzamido-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3109206
2-[(4-fluorophenyl)sulfonylamino]-N-(3-pyrrolidin-1-ylphenyl)benzamide
CID 55815022
6-oxo-N-(3-pyrrolidin-1-ylphenyl)-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 60934157

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The IUPAC name of 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide (CID 75453052) is 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is O=C(Nc1cccc(N2CCCC2)c1)c1cnn(-c2ccccc2)c1Br.
What is the InChIKey of 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
The InChIKey is FSHFKJLFNSSCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN4O/c21-19-18(14-22-25(19)16-8-2-1-3-9-16)20(26)23-15-7-6-10-17(13-15)24-11-4-5-12-24/h1-3,6-10,13-14H,4-5,11-12H2,(H,23,26).
What are the key properties of 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide?
5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide has a molecular weight of 411.30 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-phenyl-N-(3-pyrrolidin-1-ylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75453052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).