4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

C17H20F2N4O3 — CID 19341835

IUPAC4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccccc2OC(F)F)cnn1C
InChIInChI=1S/C17H20F2N4O3/c1-10(2)8-20-16(25)14-12(9-21-23(14)3)22-15(24)11-6-4-5-7-13(11)26-17(18)19/h4-7,9-10,17H,8H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyABVHWYXWWJVQEO-UHFFFAOYSA-N
MW366.37 g/mol
LogP2.66
Rot. Bonds7

About 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide

4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 19341835) has the molecular formula C17H20F2N4O3 and a molecular weight of 366.37 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID19341835
Molecular FormulaC17H20F2N4O3
Molecular Weight366.37 g/mol
Exact Mass366.15
IUPAC Name4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCC(C)CNC(=O)c1c(NC(=O)c2ccccc2OC(F)F)cnn1C
InChIInChI=1S/C17H20F2N4O3/c1-10(2)8-20-16(25)14-12(9-21-23(14)3)22-15(24)11-6-4-5-7-13(11)26-17(18)19/h4-7,9-10,17H,8H2,1-3H3,(H,20,25)(H,22,24)
InChIKeyABVHWYXWWJVQEO-UHFFFAOYSA-N
XLogP2.66
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(2-methyl-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341766
1-methyl-N-(2-methylpropyl)-4-(2-oxopropanoylamino)pyrazole-5-carboxamide
CID 19341993
4-[[5-bromo-2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19336834
4-(2-ethylbutanoylamino)-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341757
4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylic acid
CID 19406266
methyl 4-[(2-ethoxybenzoyl)amino]-1-methylpyrazole-5-carboxylate
CID 19342338
1-methyl-N-(2-methylpropyl)-4-[[5-[(2-nitrophenoxy)methyl]furan-2-carbonyl]amino]pyrazole-5-carboxamide
CID 17024108
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
2-(difluoromethoxy)-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 19346092
N-(2-amino-4-methylpentyl)-2-(difluoromethoxy)benzamide
CID 107158740
1-methyl-4-[(2-methylbenzoyl)amino]-N-propylpyrazole-5-carboxamide
CID 4865439
N-(2-bromo-3-methylbutyl)-2-(difluoromethoxy)benzamide
CID 113492971

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide (CID 19341835) is 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is CC(C)CNC(=O)c1c(NC(=O)c2ccccc2OC(F)F)cnn1C.
What is the InChIKey of 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is ABVHWYXWWJVQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O3/c1-10(2)8-20-16(25)14-12(9-21-23(14)3)22-15(24)11-6-4-5-7-13(11)26-17(18)19/h4-7,9-10,17H,8H2,1-3H3,(H,20,25)(H,22,24).
What are the key properties of 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide?
4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 366.37 g/mol, XLogP of 2.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 19341835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).