ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate

C9H10F3N3O3 — CID 75447944

IUPACethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-2-18-8(17)5-3-6(15-14-5)13-7(16)4-9(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyWINOFGSBHFUDIK-UHFFFAOYSA-N
MW265.19 g/mol
LogP1.48
Rot. Bonds4

About ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate

ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate (PubChem CID 75447944) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
PubChem CID75447944
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Nameethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)CC(F)(F)F)n[nH]1
InChIInChI=1S/C9H10F3N3O3/c1-2-18-8(17)5-3-6(15-14-5)13-7(16)4-9(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16)
InChIKeyWINOFGSBHFUDIK-UHFFFAOYSA-N
XLogP1.48
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate (CID 75447944) is ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(NC(=O)CC(F)(F)F)n[nH]1.
What is the InChIKey of ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate?
The InChIKey is WINOFGSBHFUDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O3/c1-2-18-8(17)5-3-6(15-14-5)13-7(16)4-9(10,11)12/h3H,2,4H2,1H3,(H2,13,14,15,16).
What are the key properties of ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate?
ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate has a molecular weight of 265.19 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(3,3,3-trifluoropropanoylamino)-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 75447944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).