N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide

C17H14BrN3O — CID 55651159

IUPACN-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H14BrN3O/c18-14-6-4-5-13(11-14)12-19-17(22)16-9-10-21(20-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,19,22)
InChIKeyXTQQAYBWGGKRFK-UHFFFAOYSA-N
MW356.22 g/mol
LogP3.56
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide

N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide (PubChem CID 55651159) has the molecular formula C17H14BrN3O and a molecular weight of 356.22 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
PubChem CID55651159
Molecular FormulaC17H14BrN3O
Molecular Weight356.22 g/mol
Exact Mass355.03
IUPAC NameN-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H14BrN3O/c18-14-6-4-5-13(11-14)12-19-17(22)16-9-10-21(20-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,19,22)
InChIKeyXTQQAYBWGGKRFK-UHFFFAOYSA-N
XLogP3.56
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.22
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(3-bromophenyl)methylcarbamoyl]pyridine-2-carboxylic acid
CID 61414092
1-phenyl-N-[(4-piperidin-1-ylphenyl)methyl]pyrazole-3-carboxamide
CID 71685669
N-(3-aminobutyl)-1-(3-bromophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119499693
N-[[4-(3-bromophenyl)oxan-4-yl]methyl]-1-phenylpyrazole-3-carboxamide
CID 52690055
1-(3-bromophenyl)-N-[3-(methylamino)propyl]pyrazole-3-carboxamide;hydrochloride
CID 119434260
N-[(4-morpholin-4-ylphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 51124890
3-[[[1-(3-nitrophenyl)pyrazole-3-carbonyl]amino]methyl]benzoic acid
CID 75415552
1-phenyl-N'-(2-phenylacetyl)pyrazole-3-carbohydrazide
CID 46450468
1-phenyl-N-prop-2-enylpyrazole-3-carboxamide
CID 60756667
N-(4-hydroxybutyl)-1-phenylpyrazole-3-carboxamide
CID 106843256
methyl 2-[(1-phenylpyrazole-3-carbonyl)amino]acetate
CID 38021237
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide (CID 55651159) is N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide is O=C(NCc1cccc(Br)c1)c1ccn(-c2ccccc2)n1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
The InChIKey is XTQQAYBWGGKRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O/c18-14-6-4-5-13(11-14)12-19-17(22)16-9-10-21(20-16)15-7-2-1-3-8-15/h1-11H,12H2,(H,19,22).
What are the key properties of N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide?
N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide has a molecular weight of 356.22 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 55651159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).