5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid

C5H4F3N3O2 — CID 137375404

IUPAC5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid
SMILESNc1cc(C(F)(F)F)nn1C(=O)O
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(9)11(10-2)4(12)13/h1H,9H2,(H,12,13)
InChIKeyOYPDVLJTAQPVNW-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.01
Rot. Bonds

About 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid

5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid (PubChem CID 137375404) has the molecular formula C5H4F3N3O2 and a molecular weight of 195.10 g/mol. Its IUPAC name is 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid
PubChem CID137375404
Molecular FormulaC5H4F3N3O2
Molecular Weight195.10 g/mol
Exact Mass195.03
IUPAC Name5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid
SMILESNc1cc(C(F)(F)F)nn1C(=O)O
InChIInChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(9)11(10-2)4(12)13/h1H,9H2,(H,12,13)
InChIKeyOYPDVLJTAQPVNW-UHFFFAOYSA-N
XLogP1.01
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 5-amino-3-methyl-1H-pyrazole-1-carboxylate
CID 56972293
7-methyl-2-(trifluoromethyl)-6H-pyrazolo[1,5-a][1,3,5]triazin-4-one
CID 135415381
5-Methyl-2-(trifluoromethyl)pyrazol-3-amine
CID 20297764
[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 66876319
methyl-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamic acid
CID 67496988
[1-Amino-3-(trifluoromethyl)pyrazol-5-yl]-methylcarbamic acid
CID 68786438
1,5-Dimethylpyrazol-3-amine;2,2,2-trifluoroacetic acid
CID 68912972
[5-Methyl-1-(2,2,2-trifluoroethyl)pyrazol-3-yl]carbamic acid
CID 71150272
[1-Methyl-3-(trifluoromethyl)pyrazol-5-yl]carbamic acid
CID 91480610
[1-Methyl-5-(trifluoromethyl)pyrazol-3-yl]carbamic acid
CID 117697827
[3-(Difluoromethyl)-1-methylpyrazol-5-yl]carbamic acid
CID 117775416
5-Amino-3-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-1-carboxylic acid
CID 146315642

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid?
The IUPAC name of 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid (CID 137375404) is 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid.
What is the SMILES notation for 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid?
The canonical SMILES for 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid is Nc1cc(C(F)(F)F)nn1C(=O)O.
What is the InChIKey of 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid?
The InChIKey is OYPDVLJTAQPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F3N3O2/c6-5(7,8)2-1-3(9)11(10-2)4(12)13/h1H,9H2,(H,12,13).
What are the key properties of 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid?
5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid has a molecular weight of 195.10 g/mol, XLogP of 1.01, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(trifluoromethyl)pyrazole-1-carboxylic acid is sourced from PubChem (CID 137375404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).