2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

C20H24F3N3O3 — CID 19535063

IUPAC2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C20H24F3N3O3/c1-11(15-9-14(28-3)7-8-17(15)29-4)24-19(27)12(2)26-16(13-5-6-13)10-18(25-26)20(21,22)23/h7-13H,5-6H2,1-4H3,(H,24,27)
InChIKeyWHJMPYKWYUREEY-UHFFFAOYSA-N
MW411.42 g/mol
LogP4.23
Rot. Bonds7

About 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (PubChem CID 19535063) has the molecular formula C20H24F3N3O3 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
PubChem CID19535063
Molecular FormulaC20H24F3N3O3
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)c1
InChIInChI=1S/C20H24F3N3O3/c1-11(15-9-14(28-3)7-8-17(15)29-4)24-19(27)12(2)26-16(13-5-6-13)10-18(25-26)20(21,22)23/h7-13H,5-6H2,1-4H3,(H,24,27)
InChIKeyWHJMPYKWYUREEY-UHFFFAOYSA-N
XLogP4.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.42
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2-methoxyethyl)propanamide
CID 19535137
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 19537915
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]piperidine-4-carboxylic acid
CID 119907878
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(2,6-dimethylphenyl)propanamide
CID 19534954
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]propanamide
CID 19535067
N-(4-acetylphenyl)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534958
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-pyrazol-1-ylpropanamide
CID 51076839
(2R)-2-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]propanamide
CID 51683041
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 97352904
1-[1-[1-(2,5-dimethoxyphenyl)ethylamino]-1-oxopropan-2-yl]pyrazole-4-carboxylic acid
CID 19505031
1-[1-(2,5-dimethoxyphenyl)ethyl]-3-[6-(trifluoromethyl)-2-pyridinyl]urea
CID 75477403
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272702

Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide (CID 19535063) is 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is COc1ccc(OC)c(C(C)NC(=O)C(C)n2nc(C(F)(F)F)cc2C2CC2)c1.
What is the InChIKey of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
The InChIKey is WHJMPYKWYUREEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O3/c1-11(15-9-14(28-3)7-8-17(15)29-4)24-19(27)12(2)26-16(13-5-6-13)10-18(25-26)20(21,22)23/h7-13H,5-6H2,1-4H3,(H,24,27).
What are the key properties of 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide?
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide has a molecular weight of 411.42 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 19535063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).