N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

C18H16BrN3O2 — CID 27844853

IUPACN-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyKSPKFSUVWOESOU-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.20
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide

N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (PubChem CID 27844853) has the molecular formula C18H16BrN3O2 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
PubChem CID27844853
Molecular FormulaC18H16BrN3O2
Molecular Weight386.25 g/mol
Exact Mass385.04
IUPAC NameN-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
SMILESCOc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Br
InChIInChI=1S/C18H16BrN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23)
InChIKeyKSPKFSUVWOESOU-UHFFFAOYSA-N
XLogP4.20
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561066
4-methoxy-N-(4-methyl-2-pyridinyl)-1-phenylpyrazole-3-carboxamide
CID 35029722
N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
4-methoxy-1-phenyl-N-(2-phenylphenyl)pyrazole-3-carboxamide
CID 27844736
N-(2,3-difluorophenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 51095266
4-methoxy-1-phenyl-N-(2-propan-2-yloxyphenyl)pyrazole-3-carboxamide
CID 39498587
[2-(2-chloro-4-methylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703385
4-methoxy-N-(4-methyl-1-phenylpyrazol-5-yl)-1-phenylpyrazole-3-carboxamide
CID 167751714
4-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-1-phenylpyrazole-3-carboxamide
CID 47038566
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
4-methoxy-N-[2-methyl-5-(2-methylpropanoylamino)phenyl]-1-phenylpyrazole-3-carboxamide
CID 46475860
[(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 8703470

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide (CID 27844853) is N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1Br.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
The InChIKey is KSPKFSUVWOESOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O2/c1-12-8-9-15(14(19)10-12)20-18(23)17-16(24-2)11-22(21-17)13-6-4-3-5-7-13/h3-11H,1-2H3,(H,20,23).
What are the key properties of N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide?
N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide has a molecular weight of 386.25 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 27844853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).