4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide

C16H18BrN3O — CID 5330989

IUPAC4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
InChIKeyUCKVPBMWWJALAJ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.47
Rot. Bonds3

About 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide

4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330989) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
PubChem CID5330989
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
SMILESO=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Br)cc1
InChIInChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21)
InChIKeyUCKVPBMWWJALAJ-UHFFFAOYSA-N
XLogP4.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)Benzamide
CID 449088
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluoro-2-phenylacetamide
CID 5330942
4-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330973
N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
3-bromo-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330978
N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(trifluoromethyl)benzamide
CID 5330981
4-bromo-N-(5-cyclobutyl-1H-pyrazol-3-yl)benzamide
CID 5330987
4-bromo-N-(5-cyclopentyl-1H-pyrazol-3-yl)benzamide
CID 5330988
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
CID 5330999
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide (CID 5330989) is 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide is O=C(Nc1cc(C2CCCCC2)[nH]n1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide?
The InChIKey is UCKVPBMWWJALAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-8-6-12(7-9-13)16(21)18-15-10-14(19-20-15)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,18,19,20,21).
What are the key properties of 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide?
4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).