2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

C19H23F2N3O2 — CID 19530209

IUPAC2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C19H23F2N3O2/c1-10(2)13-7-14(11(3)6-17(13)25)22-18(26)9-24-16(19(20)21)8-15(23-24)12-4-5-12/h6-8,10,12,19,25H,4-5,9H2,1-3H3,(H,22,26)
InChIKeyMXHFNNHREOUBNC-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.47
Rot. Bonds6

About 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (PubChem CID 19530209) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
PubChem CID19530209
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
SMILESCc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc(C2CC2)cc1C(F)F
InChIInChI=1S/C19H23F2N3O2/c1-10(2)13-7-14(11(3)6-17(13)25)22-18(26)9-24-16(19(20)21)8-15(23-24)12-4-5-12/h6-8,10,12,19,25H,4-5,9H2,1-3H3,(H,22,26)
InChIKeyMXHFNNHREOUBNC-UHFFFAOYSA-N
XLogP4.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide 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

dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]benzene-1,3-dicarboxylate
CID 19530124
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 19530408
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]acetamide
CID 19530246
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 19523069
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]acetamide
CID 19530300
dimethyl 5-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-3-methylthiophene-2,4-dicarboxylate
CID 19530182
propan-2-yl 2-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 19530171
ethyl 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetate
CID 7017150
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)propanamide
CID 2223120
propan-2-yl 5-carbamoyl-2-[[2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-4-methylthiophene-3-carboxylate
CID 19530192
N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 166204329
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]acetamide
CID 19530270

Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide (CID 19530209) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is Cc1cc(O)c(C(C)C)cc1NC(=O)Cn1nc(C2CC2)cc1C(F)F.
What is the InChIKey of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
The InChIKey is MXHFNNHREOUBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-10(2)13-7-14(11(3)6-17(13)25)22-18(26)9-24-16(19(20)21)8-15(23-24)12-4-5-12/h6-8,10,12,19,25H,4-5,9H2,1-3H3,(H,22,26).
What are the key properties of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide?
2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide has a molecular weight of 363.41 g/mol, XLogP of 4.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-(4-hydroxy-2-methyl-5-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 19530209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).