2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

C7H8F3N3O2 — CID 25247830

IUPAC2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1c(N)c(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C7H8F3N3O2/c1-3-5(11)6(7(8,9)10)12-13(3)2-4(14)15/h2,11H2,1H3,(H,14,15)
InChIKeyCPNPQDOKGDAAOP-UHFFFAOYSA-N
MW223.15 g/mol
LogP0.88
Rot. Bonds2

About 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid

2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (PubChem CID 25247830) has the molecular formula C7H8F3N3O2 and a molecular weight of 223.15 g/mol. Its IUPAC name is 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
PubChem CID25247830
Molecular FormulaC7H8F3N3O2
Molecular Weight223.15 g/mol
Exact Mass223.06
IUPAC Name2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid
SMILESCc1c(N)c(C(F)(F)F)nn1CC(=O)O
InChIInChI=1S/C7H8F3N3O2/c1-3-5(11)6(7(8,9)10)12-13(3)2-4(14)15/h2,11H2,1H3,(H,14,15)
InChIKeyCPNPQDOKGDAAOP-UHFFFAOYSA-N
XLogP0.88
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl chloride
CID 19620719
2-[5,5-difluoro-3-methyl-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetic acid
CID 155337329
2-[4-oxo-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetic acid
CID 71185089
ethyl 4-amino-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 125041878
2-[3-amino-5-(trifluoromethyl)pyrazol-1-yl]acetic acid
CID 79872710
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-methylacetamide
CID 19523531
1-[(1-ethylsulfonylpiperidin-4-yl)methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
CID 118171327
2-(3-iodo-4,5-dimethylpyrazol-1-yl)acetic acid
CID 70967659
3-(carboxymethyl)-5-(trifluoromethyl)triazole-4-carboxylic acid
CID 162414391
N-(3-aminopropyl)-2-[4,5-dimethyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 162583049
1,5-dimethyl-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 19754695
5-[[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophene-2-carbonitrile
CID 118171813

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid (CID 25247830) is 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is Cc1c(N)c(C(F)(F)F)nn1CC(=O)O.
What is the InChIKey of 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
The InChIKey is CPNPQDOKGDAAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O2/c1-3-5(11)6(7(8,9)10)12-13(3)2-4(14)15/h2,11H2,1H3,(H,14,15).
What are the key properties of 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid?
2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid has a molecular weight of 223.15 g/mol, XLogP of 0.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 25247830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).