2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

C17H18F3N3O — CID 843371

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C17H18F3N3O/c1-10-3-4-11(2)13(7-10)21-16(24)9-23-14(12-5-6-12)8-15(22-23)17(18,19)20/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,24)
InChIKeyNOQRPVPCNSDEOQ-UHFFFAOYSA-N
MW337.35 g/mol
LogP4.03
Rot. Bonds4

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 843371) has the molecular formula C17H18F3N3O and a molecular weight of 337.35 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID843371
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C17H18F3N3O/c1-10-3-4-11(2)13(7-10)21-16(24)9-23-14(12-5-6-12)8-15(22-23)17(18,19)20/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,24)
InChIKeyNOQRPVPCNSDEOQ-UHFFFAOYSA-N
XLogP4.03
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazolyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 856236
N-benzyl-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 653962
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2-methylphenyl)acetamide
CID 844032
N-(1-phenylethyl)-2-[3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1(4H)-yl]acetamide
CID 3136370
3-(3,5-dimethylpyrazol-1-yl)-N-(3-methylphenyl)propanamide
CID 3236386
N-(2,4-dimethylphenyl)-3-(3,5-dimethyl-1H-pyrazol-1-yl)propanamide
CID 3244387
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(3-methylphenyl)acetamide
CID 4766015
N-[(E)-(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 6907378
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)propanamide
CID 9550893
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 168281025
N-methyl-2-[5-methyl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]-N-phenylacetamide
CID 168281141
N-methyl-N-phenyl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-2-yl]acetamide
CID 168282890

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide (CID 843371) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is NOQRPVPCNSDEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-10-3-4-11(2)13(7-10)21-16(24)9-23-14(12-5-6-12)8-15(22-23)17(18,19)20/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 4.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 843371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).