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

C15H17BrN4O — CID 119390442

IUPAC1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccn(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H17BrN4O/c16-11-2-1-3-13(10-11)20-9-6-14(19-20)15(21)18-12-4-7-17-8-5-12/h1-3,6,9-10,12,17H,4-5,7-8H2,(H,18,21)
InChIKeyTWSJQEUMLNRTRC-UHFFFAOYSA-N
MW349.23 g/mol
LogP2.12
Rot. Bonds3

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

1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide (PubChem CID 119390442) has the molecular formula C15H17BrN4O and a molecular weight of 349.23 g/mol. Its IUPAC name is 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
PubChem CID119390442
Molecular FormulaC15H17BrN4O
Molecular Weight349.23 g/mol
Exact Mass348.06
IUPAC Name1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide
SMILESO=C(NC1CCNCC1)c1ccn(-c2cccc(Br)c2)n1
InChIInChI=1S/C15H17BrN4O/c16-11-2-1-3-13(10-11)20-9-6-14(19-20)15(21)18-12-4-7-17-8-5-12/h1-3,6,9-10,12,17H,4-5,7-8H2,(H,18,21)
InChIKeyTWSJQEUMLNRTRC-UHFFFAOYSA-N
XLogP2.12
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dichlorophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide;hydrochloride
CID 119387434
1-(3-bromophenyl)-N-(3-piperazin-1-ylpropyl)pyrazole-3-carboxamide
CID 119394563
1-(3-bromophenyl)-N-methyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide
CID 119554751
1-phenyl-N-piperidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119429116
[1-(3-bromophenyl)pyrazol-3-yl]-(1,4-diazepan-1-yl)methanone
CID 119418755
4-[[1-(3-chlorophenyl)pyrazole-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 119229443
N-(2-amino-1-cyclopropylethyl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119617805
1-(3-bromophenyl)-2,5-dimethyl-N-piperidin-4-ylpyrrole-3-carboxamide
CID 119389561
N-piperidin-4-yl-1-(triazolo[1,5-a]pyridin-6-yl)pyrazole-3-carboxamide
CID 175781469
N-(1-amino-2-cyclopropylpropan-2-yl)-1-(3-bromophenyl)pyrazole-3-carboxamide
CID 119576000
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
1-(3,5-difluorophenyl)-N-(7-oxoazepan-4-yl)pyrazole-3-carboxamide
CID 138055821

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide?
The IUPAC name of 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide (CID 119390442) is 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide?
The canonical SMILES for 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide is O=C(NC1CCNCC1)c1ccn(-c2cccc(Br)c2)n1.
What is the InChIKey of 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide?
The InChIKey is TWSJQEUMLNRTRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O/c16-11-2-1-3-13(10-11)20-9-6-14(19-20)15(21)18-12-4-7-17-8-5-12/h1-3,6,9-10,12,17H,4-5,7-8H2,(H,18,21).
What are the key properties of 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide?
1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide has a molecular weight of 349.23 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-N-piperidin-4-ylpyrazole-3-carboxamide is sourced from PubChem (CID 119390442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).