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

C10H13F3N2O2 — CID 71186923

IUPAC4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-6(2)5-7(9(16)17)15-4-3-8(14-15)10(11,12)13/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyUHEBPEXCCXPOAO-UHFFFAOYSA-N
MW250.22 g/mol
LogP2.57
Rot. Bonds4

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

4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (PubChem CID 71186923) has the molecular formula C10H13F3N2O2 and a molecular weight of 250.22 g/mol. Its IUPAC name is 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
PubChem CID71186923
Molecular FormulaC10H13F3N2O2
Molecular Weight250.22 g/mol
Exact Mass250.09
IUPAC Name4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C10H13F3N2O2/c1-6(2)5-7(9(16)17)15-4-3-8(14-15)10(11,12)13/h3-4,6-7H,5H2,1-2H3,(H,16,17)
InChIKeyUHEBPEXCCXPOAO-UHFFFAOYSA-N
XLogP2.57
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-(3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66015345
(5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66971903
1-(5-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853669
1-(3-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853986
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
2-(5-cyclopropyl-1H-pyrazol-1-yl)pentanoic acid
CID 137942806
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
CID 114989809

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The IUPAC name of 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid (CID 71186923) is 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is CC(C)CC(C(=O)O)n1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
The InChIKey is UHEBPEXCCXPOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2/c1-6(2)5-7(9(16)17)15-4-3-8(14-15)10(11,12)13/h3-4,6-7H,5H2,1-2H3,(H,16,17).
What are the key properties of 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid?
4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid has a molecular weight of 250.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoic acid is sourced from PubChem (CID 71186923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).