1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide

C15H17F2N3O2 — CID 19268513

IUPAC1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C15H17F2N3O2/c1-8(2)10-7-12(9(3)6-13(10)21)18-14(22)11-4-5-20(19-11)15(16)17/h4-8,15,21H,1-3H3,(H,18,22)
InChIKeyJZZXONUQLVESLA-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.67
Rot. Bonds4

About 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide

1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide (PubChem CID 19268513) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
PubChem CID19268513
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)c1ccn(C(F)F)n1
InChIInChI=1S/C15H17F2N3O2/c1-8(2)10-7-12(9(3)6-13(10)21)18-14(22)11-4-5-20(19-11)15(16)17/h4-8,15,21H,1-3H3,(H,18,22)
InChIKeyJZZXONUQLVESLA-UHFFFAOYSA-N
XLogP3.67
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-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

2,6-difluoro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)benzamide
CID 138811101
1-[(2-chloro-5-methylphenoxy)methyl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide
CID 19275598
4-chloro-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19266753
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 19474826
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1-[(2-nitrophenoxy)methyl]pyrazole-3-carboxamide
CID 19274011
2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504084
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylbenzamide
CID 706309
3-(4-chlorophenyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-1H-pyrazole-5-carboxamide
CID 19509385
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
1,3-bis(4-hydroxy-2-methyl-5-propan-2-ylphenyl)thiourea
CID 3757180
ethyl 5-[[1-(difluoromethyl)pyrazole-3-carbonyl]amino]-1-methylpyrazole-4-carboxylate
CID 19268660
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-3-methylsulfanylthiophene-2-carboxamide
CID 75430929

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide (CID 19268513) is 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide is Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccn(C(F)F)n1.
What is the InChIKey of 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide?
The InChIKey is JZZXONUQLVESLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-8(2)10-7-12(9(3)6-13(10)21)18-14(22)11-4-5-20(19-11)15(16)17/h4-8,15,21H,1-3H3,(H,18,22).
What are the key properties of 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide?
1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide has a molecular weight of 309.32 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19268513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).