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

C16H16F3N3O2 — CID 843380

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H16F3N3O2/c1-24-13-5-3-2-4-11(13)20-15(23)9-22-12(10-6-7-10)8-14(21-22)16(17,18)19/h2-5,8,10H,6-7,9H2,1H3,(H,20,23)
InChIKeyQFABZYKECGROQK-UHFFFAOYSA-N
MW339.32 g/mol
LogP3.43
Rot. Bonds5

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

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 843380) 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-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID843380
Molecular FormulaC16H16F3N3O2
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1
InChIInChI=1S/C16H16F3N3O2/c1-24-13-5-3-2-4-11(13)20-15(23)9-22-12(10-6-7-10)8-14(21-22)16(17,18)19/h2-5,8,10H,6-7,9H2,1H3,(H,20,23)
InChIKeyQFABZYKECGROQK-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-(3,5-dimethyl-1H-pyrazol-1-yl)-2-oxoethyl]-2-methoxyaniline
CID 703663
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-(5-chloro-2-methoxyphenyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetamide
CID 1129711
1-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-3-(trifluoromethyl)-1,4,5,6-tetrahydrocyclopenta[c]pyrazole
CID 1129747
[(2R)-1-[3,5-di(propan-2-yl)pyrazol-1-yl]-3-methylbutan-2-yl] N-(4-methoxyphenyl)carbamate
CID 44589917
1-(2-Methoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 4885279
N-[(4-methoxyphenyl)methyl]-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]acetamide
CID 655021
2-[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(2,4-dimethoxyphenyl)acetamide
CID 1100804
N-(4-methoxybenzyl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 742291
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide
CID 2620928

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide (CID 843380) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is QFABZYKECGROQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2/c1-24-13-5-3-2-4-11(13)20-15(23)9-22-12(10-6-7-10)8-14(21-22)16(17,18)19/h2-5,8,10H,6-7,9H2,1H3,(H,20,23).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 843380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).