5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide

C15H16BrN3O — CID 71824533

IUPAC5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c16-11-5-3-4-10(8-11)14-13(9-17-19-14)15(20)18-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,18,20)
InChIKeyAGTRQEHWKGSXHV-UHFFFAOYSA-N
MW334.22 g/mol
LogP3.51
Rot. Bonds3

About 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide

5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide (PubChem CID 71824533) has the molecular formula C15H16BrN3O and a molecular weight of 334.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
PubChem CID71824533
Molecular FormulaC15H16BrN3O
Molecular Weight334.22 g/mol
Exact Mass333.05
IUPAC Name5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCCC1)c1cn[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C15H16BrN3O/c16-11-5-3-4-10(8-11)14-13(9-17-19-14)15(20)18-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,18,20)
InChIKeyAGTRQEHWKGSXHV-UHFFFAOYSA-N
XLogP3.51
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.22
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cycloheptyl-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78835476
N-(1,1-dioxothian-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 60511818
N-(4-aminocyclohexyl)-5-phenyl-1H-pyrazole-4-carboxamide;hydrochloride
CID 119475103
N-cyclopentyl-5-thiophen-2-yl-1H-pyrazole-4-carboxamide
CID 71824156
5-(3-chloro-4-ethoxyphenyl)-N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 71824281
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-5-(3-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 95721732
N-(1-ethylpiperidin-4-yl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 146131304
5-(3-fluorophenyl)-N-[(3R,4R)-4-hydroxypiperidin-3-yl]-1H-pyrazole-4-carboxamide;dihydrochloride
CID 154897067
N-cyclopropyl-5-(4-nitrophenyl)-1H-pyrazole-4-carboxamide
CID 71824219
5-(3-methylphenyl)-N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 124855451
5-(4-fluorophenyl)-N-(4-methylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 24595329
5-(3-bromophenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795174

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide (CID 71824533) is 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide is O=C(NC1CCCC1)c1cn[nH]c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide?
The InChIKey is AGTRQEHWKGSXHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O/c16-11-5-3-4-10(8-11)14-13(9-17-19-14)15(20)18-12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H,17,19)(H,18,20).
What are the key properties of 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide?
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide has a molecular weight of 334.22 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).