5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

C13H12F3N3O2 — CID 86869419

IUPAC5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H12F3N3O2/c1-2-5-19(8-13(14,15)16)12(20)10-7-9(17-18-10)11-4-3-6-21-11/h2-4,6-7H,1,5,8H2,(H,17,18)
InChIKeyUZLSPSAEHNTEBV-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.86
Rot. Bonds5

About 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (PubChem CID 86869419) has the molecular formula C13H12F3N3O2 and a molecular weight of 299.25 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
PubChem CID86869419
Molecular FormulaC13H12F3N3O2
Molecular Weight299.25 g/mol
Exact Mass299.09
IUPAC Name5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide
SMILESC=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)[nH]n1
InChIInChI=1S/C13H12F3N3O2/c1-2-5-19(8-13(14,15)16)12(20)10-7-9(17-18-10)11-4-3-6-21-11/h2-4,6-7H,1,5,8H2,(H,17,18)
InChIKeyUZLSPSAEHNTEBV-UHFFFAOYSA-N
XLogP2.86
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide (CID 86869419) is 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is C=CCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)[nH]n1.
What is the InChIKey of 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is UZLSPSAEHNTEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O2/c1-2-5-19(8-13(14,15)16)12(20)10-7-9(17-18-10)11-4-3-6-21-11/h2-4,6-7H,1,5,8H2,(H,17,18).
What are the key properties of 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 299.25 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 86869419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).