2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide

C17H19BrFN3O — CID 55863420

IUPAC2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFN3O/c18-15-9-12(19)6-7-14(15)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23)
InChIKeyCSUWBJCTGVDMJQ-UHFFFAOYSA-N
MW380.26 g/mol
LogP4.69
Rot. Bonds4

About 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide

2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide (PubChem CID 55863420) has the molecular formula C17H19BrFN3O and a molecular weight of 380.26 g/mol. Its IUPAC name is 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
PubChem CID55863420
Molecular FormulaC17H19BrFN3O
Molecular Weight380.26 g/mol
Exact Mass379.07
IUPAC Name2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide
SMILESO=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(F)cc1Br
InChIInChI=1S/C17H19BrFN3O/c18-15-9-12(19)6-7-14(15)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23)
InChIKeyCSUWBJCTGVDMJQ-UHFFFAOYSA-N
XLogP4.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.26
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2,5-difluorobenzamide
CID 56552988
N-[4-[[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]amino]-4-oxobutyl]-4-fluorobenzamide
CID 56553027
5-acetamido-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 126779463
2-bromo-N-cyclooctyl-4-fluorobenzamide
CID 24693747
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-fluoro-2,3-dimethoxybenzamide
CID 126792996
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3-(difluoromethoxy)-4-methoxybenzamide
CID 56553284
2-bromo-N-cyclopentyl-4-fluorobenzamide
CID 9209126
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dimethyl-6-oxo-1H-pyridazine-5-carboxamide
CID 56826864
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-(methylsulfamoyl)benzamide
CID 47060223
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 56552832
N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 127277358
N-(2-amino-1-cyclohexylethyl)-2-bromo-4-fluorobenzamide
CID 81486052

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide (CID 55863420) is 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide is O=C(Nc1cc(CC2CCCCC2)[nH]n1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide?
The InChIKey is CSUWBJCTGVDMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFN3O/c18-15-9-12(19)6-7-14(15)17(23)20-16-10-13(21-22-16)8-11-4-2-1-3-5-11/h6-7,9-11H,1-5,8H2,(H2,20,21,22,23).
What are the key properties of 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide?
2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide has a molecular weight of 380.26 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[5-(cyclohexylmethyl)-1H-pyrazol-3-yl]-4-fluorobenzamide is sourced from PubChem (CID 55863420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).