1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide

C14H15BrN4O — CID 119453521

IUPAC1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C14H15BrN4O/c15-11-1-3-13(4-2-11)19-9-10(7-17-19)14(20)18-12-5-6-16-8-12/h1-4,7,9,12,16H,5-6,8H2,(H,18,20)
InChIKeyDFTYDCIKBNUCEI-UHFFFAOYSA-N
MW335.21 g/mol
LogP1.73
Rot. Bonds3

About 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide (PubChem CID 119453521) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
PubChem CID119453521
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide
SMILESO=C(NC1CCNC1)c1cnn(-c2ccc(Br)cc2)c1
InChIInChI=1S/C14H15BrN4O/c15-11-1-3-13(4-2-11)19-9-10(7-17-19)14(20)18-12-5-6-16-8-12/h1-4,7,9,12,16H,5-6,8H2,(H,18,20)
InChIKeyDFTYDCIKBNUCEI-UHFFFAOYSA-N
XLogP1.73
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-cyclopropylpyrazole-4-carboxamide
CID 47242136
1-(4-bromophenyl)-N-(3-methylpiperidin-4-yl)pyrazole-4-carboxamide
CID 120557850
1-phenyl-N-[(3R)-piperidin-3-yl]pyrazole-4-carboxamide
CID 28742838
4-bromo-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119453836
1-(4-bromophenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119513926
1-(4-bromophenyl)-5-methyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
CID 119451537
N-[4-(hydroxymethyl)piperidin-3-yl]-1-[4-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 167780990
N-(3-methylpiperidin-4-yl)-1-(4-nitrophenyl)pyrazole-4-carboxamide
CID 120556062
1-(4-bromophenyl)-N-(3-hydroxypropyl)pyrazole-4-carboxamide
CID 78888800
1-(4-bromophenyl)pyrazole-4-carboxylic acid
CID 11601417
1-(4-bromophenyl)-N-[3-(cyclopropylmethoxy)propyl]pyrazole-4-carboxamide
CID 55792306
N-(4-aminocyclohexyl)-1-(3-bromophenyl)pyrazole-4-carboxamide
CID 119475387

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide (CID 119453521) is 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide is O=C(NC1CCNC1)c1cnn(-c2ccc(Br)cc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
The InChIKey is DFTYDCIKBNUCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c15-11-1-3-13(4-2-11)19-9-10(7-17-19)14(20)18-12-5-6-16-8-12/h1-4,7,9,12,16H,5-6,8H2,(H,18,20).
What are the key properties of 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-pyrrolidin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 119453521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).