N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

C20H18BrN3O — CID 30843040

IUPACN-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-13-7-10-17(16(21)11-13)22-20(25)19-12-18(14-8-9-14)23-24(19)15-5-3-2-4-6-15/h2-7,10-12,14H,8-9H2,1H3,(H,22,25)
InChIKeyXGYYMWZTOMXUAY-UHFFFAOYSA-N
MW396.29 g/mol
LogP5.07
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide

N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (PubChem CID 30843040) has the molecular formula C20H18BrN3O and a molecular weight of 396.29 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
PubChem CID30843040
Molecular FormulaC20H18BrN3O
Molecular Weight396.29 g/mol
Exact Mass395.06
IUPAC NameN-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(Br)c1
InChIInChI=1S/C20H18BrN3O/c1-13-7-10-17(16(21)11-13)22-20(25)19-12-18(14-8-9-14)23-24(19)15-5-3-2-4-6-15/h2-7,10-12,14H,8-9H2,1H3,(H,22,25)
InChIKeyXGYYMWZTOMXUAY-UHFFFAOYSA-N
XLogP5.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.29
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-cyclopropyl-1-phenyl-N-(2-phenylpyrimidin-5-yl)pyrazole-5-carboxamide
CID 46439782
N'-benzoyl-3-cyclopropyl-1-phenylpyrazole-5-carbohydrazide
CID 27555772
dimethyl 5-[(3-cyclopropyl-1-phenylpyrazole-5-carbonyl)amino]benzene-1,3-dicarboxylate
CID 26737011
3-cyclopropyl-N-(3-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 27167430
3-cyclopropyl-N-ethoxy-1-phenylpyrazole-5-carboxamide
CID 18169018
3-cyclopropyl-N-(4-methylcyclohexyl)-1-phenylpyrazole-5-carboxamide
CID 9462634
N-hydroxy-1-phenyl-3-(1-propan-2-ylpiperidin-4-yl)pyrazole-5-carboxamide
CID 86292051
N-(5-chloro-2-pyridinyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide
CID 34136216
3-cyclopropyl-N-[1-(2-methylphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 42916203
3-cyclopropyl-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-1-phenylpyrazole-5-carboxamide
CID 16557342
3-cyclopropyl-N-[4-(dimethylsulfamoyl)phenyl]-1-phenylpyrazole-5-carboxamide
CID 9438240

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide (CID 30843040) is N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is Cc1ccc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is XGYYMWZTOMXUAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrN3O/c1-13-7-10-17(16(21)11-13)22-20(25)19-12-18(14-8-9-14)23-24(19)15-5-3-2-4-6-15/h2-7,10-12,14H,8-9H2,1H3,(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide?
N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 396.29 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-cyclopropyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 30843040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).