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

C16H16F3N3O2 — CID 844037

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C16H16F3N3O2/c1-24-12-4-2-3-11(7-12)20-15(23)9-22-13(10-5-6-10)8-14(21-22)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,20,23)
InChIKeyFKFZZNMKKLZHNZ-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.43
Rot. Bonds5

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (PubChem CID 844037) has the molecular formula C16H16F3N3O2 and a molecular weight of 339.32 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
PubChem CID844037
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C16H16F3N3O2/c1-24-12-4-2-3-11(7-12)20-15(23)9-22-13(10-5-6-10)8-14(21-22)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,20,23)
InChIKeyFKFZZNMKKLZHNZ-UHFFFAOYSA-N
XLogP3.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 53.43
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-(1,3-benzodioxol-5-yl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 711707
N-(2-Methoxy-phenyl)-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 646281
N-(3-methoxyphenyl)-2-{[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}hydrazinecarbothioamide
CID 998375
2-{[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]acetyl}-N-(3-methoxyphenyl)hydrazinecarbothioamide
CID 998658
N-(3,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129709
3-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9120568
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(3-methoxy-phenyl)-piperazin-1-yl]-ethanone
CID 21071083
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
N-(3-methoxyphenyl)-2-(5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-2-yl)acetamide
CID 5307638
N-(2,5-dimethoxyphenyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 753154

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide (CID 844037) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide is COc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
The InChIKey is FKFZZNMKKLZHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-12-4-2-3-11(7-12)20-15(23)9-22-13(10-5-6-10)8-14(21-22)16(17,18)19/h2-4,7-8,10H,5-6,9H2,1H3,(H,20,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(3-methoxyphenyl)acetamide has a molecular weight of 339.32 g/mol, XLogP of 3.43, 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-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 844037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).