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

C7H7F3N2O2 — CID 119053479

IUPAC2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1cn(CC(=O)O)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-4-2-12(3-5(13)14)11-6(4)7(8,9)10/h2H,3H2,1H3,(H,13,14)
InChIKeyURYBQPIPDBWRIK-UHFFFAOYSA-N
MW208.14 g/mol
LogP1.29
Rot. Bonds2

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

2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 119053479) has the molecular formula C7H7F3N2O2 and a molecular weight of 208.14 g/mol. Its IUPAC name is 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID119053479
Molecular FormulaC7H7F3N2O2
Molecular Weight208.14 g/mol
Exact Mass208.05
IUPAC Name2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1cn(CC(=O)O)nc1C(F)(F)F
InChIInChI=1S/C7H7F3N2O2/c1-4-2-12(3-5(13)14)11-6(4)7(8,9)10/h2H,3H2,1H3,(H,13,14)
InChIKeyURYBQPIPDBWRIK-UHFFFAOYSA-N
XLogP1.29
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.14
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 2060883
(5-methyl-1H-pyrazol-1-yl)acetic acid
CID 7018400
2-(3-methyl-1H-pyrazol-1-yl)acetic acid
CID 5012329
5-(Trifluoromethyl)-1H-pyrazole-1-acetic acid
CID 11127131
2-(4-chloro-3-(trifluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 19576709
2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]propanoic acid
CID 19616392
2-[4-(trifluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 64176482
2-(3-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66015345
(5-(difluoromethyl)-1H-pyrazol-1-yl)acetic acid
CID 66971903
2-(4-ethyl-1H-pyrazol-1-yl)acetic acid
CID 68081749
2-(4-iodo-5-methyl-1H-pyrazol-1-yl)acetic acid
CID 66509225
2-[4-(difluoromethyl)-1H-pyrazol-1-yl]acetic acid
CID 84732092

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 119053479) is 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is Cc1cn(CC(=O)O)nc1C(F)(F)F.
What is the InChIKey of 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is URYBQPIPDBWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2O2/c1-4-2-12(3-5(13)14)11-6(4)7(8,9)10/h2H,3H2,1H3,(H,13,14).
What are the key properties of 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 208.14 g/mol, XLogP of 1.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 119053479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).