N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

C13H16F3N3O — CID 71808053

IUPACN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1CC=CCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-6-8-19(18-11)9-7-17-12(20)10-4-2-1-3-5-10/h1-2,6,8,10H,3-5,7,9H2,(H,17,20)
InChIKeyZIMZDNURRDWNET-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.37
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide

N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 71808053) has the molecular formula C13H16F3N3O and a molecular weight of 287.29 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID71808053
Molecular FormulaC13H16F3N3O
Molecular Weight287.29 g/mol
Exact Mass287.12
IUPAC NameN-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(NCCn1ccc(C(F)(F)F)n1)C1CC=CCC1
InChIInChI=1S/C13H16F3N3O/c14-13(15,16)11-6-8-19(18-11)9-7-17-12(20)10-4-2-1-3-5-10/h1-2,6,8,10H,3-5,7,9H2,(H,17,20)
InChIKeyZIMZDNURRDWNET-UHFFFAOYSA-N
XLogP2.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 52.37
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 N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide (CID 71808053) is N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide is O=C(NCCn1ccc(C(F)(F)F)n1)C1CC=CCC1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is ZIMZDNURRDWNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O/c14-13(15,16)11-6-8-19(18-11)9-7-17-12(20)10-4-2-1-3-5-10/h1-2,6,8,10H,3-5,7,9H2,(H,17,20).
What are the key properties of N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide?
N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 287.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 71808053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).