3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

C13H17F3N2O2 — CID 68611224

IUPAC3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCc1cn(C(CC2CCCC2)C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-8-7-18(17-11(8)13(14,15)16)10(12(19)20)6-9-4-2-3-5-9/h7,9-10H,2-6H2,1H3,(H,19,20)
InChIKeyKNSAFZGUTPLQPM-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.42
Rot. Bonds4

About 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid

3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (PubChem CID 68611224) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
PubChem CID68611224
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Name3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
SMILESCc1cn(C(CC2CCCC2)C(=O)O)nc1C(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-8-7-18(17-11(8)13(14,15)16)10(12(19)20)6-9-4-2-3-5-9/h7,9-10H,2-6H2,1H3,(H,19,20)
InChIKeyKNSAFZGUTPLQPM-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 86208017
2-(4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 119055638
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
CID 114989809
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 137832393
3-[1-[[1-Methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]piperidin-4-yl]propanoic acid
CID 138003563
methyl (2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 58437089
(2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 58437113
methyl (2S)-3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233404
methyl (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233409
methyl (2S)-3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233416
Methyl 3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67130796
Methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67313358

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The IUPAC name of 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid (CID 68611224) is 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The canonical SMILES for 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is Cc1cn(C(CC2CCCC2)C(=O)O)nc1C(F)(F)F.
What is the InChIKey of 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
The InChIKey is KNSAFZGUTPLQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-8-7-18(17-11(8)13(14,15)16)10(12(19)20)6-9-4-2-3-5-9/h7,9-10H,2-6H2,1H3,(H,19,20).
What are the key properties of 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid?
3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid has a molecular weight of 290.29 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 68611224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).