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

C19H17BrClN3O2 — CID 19284379

IUPACN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)c1C
InChIInChI=1S/C19H17BrClN3O2/c1-12-15(4-3-5-17(12)26-2)19(25)22-18-16(20)11-24(23-18)10-13-6-8-14(21)9-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyPXCMBUSREUTHEE-UHFFFAOYSA-N
MW434.72 g/mol
LogP4.92
Rot. Bonds5

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

N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide (PubChem CID 19284379) has the molecular formula C19H17BrClN3O2 and a molecular weight of 434.72 g/mol. Its IUPAC name is N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide
PubChem CID19284379
Molecular FormulaC19H17BrClN3O2
Molecular Weight434.72 g/mol
Exact Mass433.02
IUPAC NameN-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide
SMILESCOc1cccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)c1C
InChIInChI=1S/C19H17BrClN3O2/c1-12-15(4-3-5-17(12)26-2)19(25)22-18-16(20)11-24(23-18)10-13-6-8-14(21)9-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25)
InChIKeyPXCMBUSREUTHEE-UHFFFAOYSA-N
XLogP4.92
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.72
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide
CID 19287650
2-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19284205
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19394725
N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-2-methyl-3-nitrobenzamide
CID 19347160
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19394721
4-[[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498483
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-fluorobenzamide
CID 11154069
4-bromo-N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19284270
2-bromo-N-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347171
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19284324
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-7-(difluoromethyl)-5-(2-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19284458
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19284185

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide?
The IUPAC name of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide (CID 19284379) is N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide.
What is the SMILES notation for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide?
The canonical SMILES for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide is COc1cccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3)cc2Br)c1C.
What is the InChIKey of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide?
The InChIKey is PXCMBUSREUTHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClN3O2/c1-12-15(4-3-5-17(12)26-2)19(25)22-18-16(20)11-24(23-18)10-13-6-8-14(21)9-7-13/h3-9,11H,10H2,1-2H3,(H,22,23,25).
What are the key properties of N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide?
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide has a molecular weight of 434.72 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-methoxy-2-methylbenzamide is sourced from PubChem (CID 19284379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).