2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

C17H13BrClN3O — CID 19283683

IUPAC2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1Br
InChIInChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H,20,21,23)
InChIKeySHDKFBZQNUHOCJ-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.60
Rot. Bonds4

About 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide

2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (PubChem CID 19283683) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
PubChem CID19283683
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC Name2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1Br
InChIInChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H,20,21,23)
InChIKeySHDKFBZQNUHOCJ-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.67
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-phenylpropanamide
CID 19283649
1-(1-benzylpyrazol-3-yl)-3-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19395285
2-(4-chlorobenzoyl)-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400996
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264469
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide
CID 19512622
2-chloro-N-[1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286709
N-(1-benzylpyrazol-3-yl)-3-chlorobenzamide
CID 2991624

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide (CID 19283683) is 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
The InChIKey is SHDKFBZQNUHOCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-14(15)17(23)20-16-9-10-22(21-16)11-12-5-7-13(19)8-6-12/h1-10H,11H2,(H,20,21,23).
What are the key properties of 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide?
2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide has a molecular weight of 390.67 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 19283683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).