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

C17H18F3N3O — CID 843392

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H18F3N3O/c1-2-11-5-3-4-6-13(11)21-16(24)10-23-14(12-7-8-12)9-15(22-23)17(18,19)20/h3-6,9,12H,2,7-8,10H2,1H3,(H,21,24)
InChIKeySQNGPPWAKWCRBR-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.98
Rot. Bonds5

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 843392) 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-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID843392
Molecular FormulaC17H18F3N3O
Molecular Weight337.35 g/mol
Exact Mass337.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C17H18F3N3O/c1-2-11-5-3-4-6-13(11)21-16(24)10-23-14(12-7-8-12)9-15(22-23)17(18,19)20/h3-6,9,12H,2,7-8,10H2,1H3,(H,21,24)
InChIKeySQNGPPWAKWCRBR-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide (CID 843392) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is SQNGPPWAKWCRBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O/c1-2-11-5-3-4-6-13(11)21-16(24)10-23-14(12-7-8-12)9-15(22-23)17(18,19)20/h3-6,9,12H,2,7-8,10H2,1H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 337.35 g/mol, XLogP of 3.98, 5 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-ethylphenyl)acetamide is sourced from PubChem (CID 843392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).