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

C17H13BrClN3O — CID 7504732

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H13BrClN3O/c18-14-6-4-12(5-7-14)11-22-16(8-9-20-22)21-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,21,23)
InChIKeyWBVQVHJVVXXSDO-UHFFFAOYSA-N
MW390.67 g/mol
LogP4.60
Rot. Bonds4

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

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide (PubChem CID 7504732) has the molecular formula C17H13BrClN3O and a molecular weight of 390.67 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
PubChem CID7504732
Molecular FormulaC17H13BrClN3O
Molecular Weight390.67 g/mol
Exact Mass388.99
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
SMILESO=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc(Cl)c1
InChIInChI=1S/C17H13BrClN3O/c18-14-6-4-12(5-7-14)11-22-16(8-9-20-22)21-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,21,23)
InChIKeyWBVQVHJVVXXSDO-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

3-chloro-N-[2-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 17464648
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(trifluoromethyl)benzamide
CID 27831460
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-chloropyridine-4-carboxamide
CID 32696325
4-benzamido-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]benzamide
CID 43048740
N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]naphthalene-2-carboxamide
CID 26725865
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-4-methyl-3-nitrobenzamide
CID 27831565
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 34074376
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 16571949
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-3,5-dichlorobenzamide
CID 18206219
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide (CID 7504732) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide is O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccc(Cl)c1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide?
The InChIKey is WBVQVHJVVXXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrClN3O/c18-14-6-4-12(5-7-14)11-22-16(8-9-20-22)21-17(23)13-2-1-3-15(19)10-13/h1-10H,11H2,(H,21,23).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-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-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide is sourced from PubChem (CID 7504732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).