2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide

C17H18F3N3O2 — CID 998479

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyBQZHYBJTKMYHAH-UHFFFAOYSA-N
MW353.34 g/mol
LogP3.74
Rot. Bonds5

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide (PubChem CID 998479) has the molecular formula C17H18F3N3O2 and a molecular weight of 353.34 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
PubChem CID998479
Molecular FormulaC17H18F3N3O2
Molecular Weight353.34 g/mol
Exact Mass353.14
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1
InChIInChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24)
InChIKeyBQZHYBJTKMYHAH-UHFFFAOYSA-N
XLogP3.74
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 3662930
N-(2,4-Dimethoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 645081
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129709
3-(3,5-dimethylpyrazol-1-yl)-N-(4-methoxyphenyl)propanamide
CID 3245018
N-[(3-methoxyphenyl)methyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309499
2-(4-acetyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 15943482
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
2-(3,5-dimethyl-4-phenoxypyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 146152656
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(3,5-dimethoxyphenyl)methyl]acetamide
CID 4523842
N-[4-[1-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-5-yl]phenyl]acetamide
CID 44291673

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide (CID 998479) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide is COc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c(C)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
The InChIKey is BQZHYBJTKMYHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O2/c1-10-7-12(25-2)5-6-13(10)21-16(24)9-23-14(11-3-4-11)8-15(22-23)17(18,19)20/h5-8,11H,3-4,9H2,1-2H3,(H,21,24).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide has a molecular weight of 353.34 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4-methoxy-2-methylphenyl)acetamide is sourced from PubChem (CID 998479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).