N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide

C17H13BrClN3O — CID 55452348

IUPACN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-13(15)11-22-16(9-10-20-22)21-17(23)12-5-7-14(19)8-6-12/h1-10H,11H2,(H,21,23)
InChIKeyFQUMFFFJJHLHMA-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.60
Rot. Bonds4

About N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide

N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide (PubChem CID 55452348) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
PubChem CID55452348
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC NameN-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-13(15)11-22-16(9-10-20-22)21-17(23)12-5-7-14(19)8-6-12/h1-10H,11H2,(H,21,23)
InChIKeyFQUMFFFJJHLHMA-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

N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3,5-dichlorobenzamide
CID 18206219
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]furan-2-carboxamide
CID 18102424
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 18102449
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3-nitrobenzamide
CID 55452323
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 55452219
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-(2-benzylpyrazol-3-yl)-4-iodobenzamide
CID 55359598
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
2-(2-bromophenoxy)-N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]acetamide
CID 52542142
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide?
The IUPAC name of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide (CID 55452348) is N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide?
The canonical SMILES for N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide is O=C(Nc1ccnn1Cc1ccccc1Br)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide?
The InChIKey is FQUMFFFJJHLHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-15-4-2-1-3-13(15)11-22-16(9-10-20-22)21-17(23)12-5-7-14(19)8-6-12/h1-10H,11H2,(H,21,23).
What are the key properties of N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide?
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide 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 N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-4-chlorobenzamide is sourced from PubChem (CID 55452348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).