1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid

C10H11F3N2O2 — CID 114989809

IUPAC1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6-15(14-7)9(8(16)17)4-1-2-5-9/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyGMXXFFAFCAGVOJ-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.26
Rot. Bonds2

About 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid

1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid (PubChem CID 114989809) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
PubChem CID114989809
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(n2ccc(C(F)(F)F)n2)CCCC1
InChIInChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6-15(14-7)9(8(16)17)4-1-2-5-9/h3,6H,1-2,4-5H2,(H,16,17)
InChIKeyGMXXFFAFCAGVOJ-UHFFFAOYSA-N
XLogP2.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 137832393
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 19620739
3-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoic acid
CID 43670354
(2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 58437113
methyl (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233409
Methyl 3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67130796
3-Cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 68611224
3-Cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoic acid
CID 68611842
ethyl 2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)hexanoate
CID 71186777
4-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pentanoic acid
CID 71186923
2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)hexanoic acid
CID 71204609
2-[3-(Trifluoromethyl)pyrazol-1-yl]pentanoic acid
CID 83037561

Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid (CID 114989809) is 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid is O=C(O)C1(n2ccc(C(F)(F)F)n2)CCCC1.
What is the InChIKey of 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid?
The InChIKey is GMXXFFAFCAGVOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c11-10(12,13)7-3-6-15(14-7)9(8(16)17)4-1-2-5-9/h3,6H,1-2,4-5H2,(H,16,17).
What are the key properties of 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid?
1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114989809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).