3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid

C7H6F3N3O3 — CID 64527652

IUPAC3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(CC(F)(F)F)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)2-5(14)11-4-1-3(6(15)16)12-13-4/h1H,2H2,(H,15,16)(H2,11,12,13,14)
InChIKeyTUJDQFXDLJFICI-UHFFFAOYSA-N
MW237.14 g/mol
LogP1.00
Rot. Bonds3

About 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid

3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64527652) has the molecular formula C7H6F3N3O3 and a molecular weight of 237.14 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64527652
Molecular FormulaC7H6F3N3O3
Molecular Weight237.14 g/mol
Exact Mass237.04
IUPAC Name3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESO=C(CC(F)(F)F)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C7H6F3N3O3/c8-7(9,10)2-5(14)11-4-1-3(6(15)16)12-13-4/h1H,2H2,(H,15,16)(H2,11,12,13,14)
InChIKeyTUJDQFXDLJFICI-UHFFFAOYSA-N
XLogP1.00
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid (CID 64527652) is 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid is O=C(CC(F)(F)F)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is TUJDQFXDLJFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N3O3/c8-7(9,10)2-5(14)11-4-1-3(6(15)16)12-13-4/h1H,2H2,(H,15,16)(H2,11,12,13,14).
What are the key properties of 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid?
3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 237.14 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).