4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid

C8H9F3N2O2 — CID 19620054

IUPAC4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6-3-5-13(12-6)4-1-2-7(14)15/h3,5H,1-2,4H2,(H,14,15)
InChIKeyYYGGYZLNDITAGF-UHFFFAOYSA-N
MW222.17 g/mol
LogP1.77
Rot. Bonds4

About 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid

4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (PubChem CID 19620054) has the molecular formula C8H9F3N2O2 and a molecular weight of 222.17 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
PubChem CID19620054
Molecular FormulaC8H9F3N2O2
Molecular Weight222.17 g/mol
Exact Mass222.06
IUPAC Name4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid
SMILESO=C(O)CCCn1ccc(C(F)(F)F)n1
InChIInChI=1S/C8H9F3N2O2/c9-8(10,11)6-3-5-13(12-6)4-1-2-7(14)15/h3,5H,1-2,4H2,(H,14,15)
InChIKeyYYGGYZLNDITAGF-UHFFFAOYSA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.17
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-Methyl-1H-pyrazol-1-yl)propanoic acid
CID 814994
2-(5-methyl-1H-pyrazol-1-yl)propanoic acid
CID 6485706
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
2-methyl-3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 3137773
3-(3-methyl-1H-pyrazol-1-yl)propanoic acid
CID 776840
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-(3-methyl-1H-pyrazol-1-yl)cyclopropane-1-carboxylic acid
CID 89853986
2-amino-3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid hydrochloride
CID 75480514
4-[4-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]butanoic acid
CID 86208018

Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The IUPAC name of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid (CID 19620054) is 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid.
What is the SMILES notation for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The canonical SMILES for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is O=C(O)CCCn1ccc(C(F)(F)F)n1.
What is the InChIKey of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
The InChIKey is YYGGYZLNDITAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F3N2O2/c9-8(10,11)6-3-5-13(12-6)4-1-2-7(14)15/h3,5H,1-2,4H2,(H,14,15).
What are the key properties of 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid?
4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid has a molecular weight of 222.17 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)pyrazol-1-yl]butanoic acid is sourced from PubChem (CID 19620054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).