N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide

C17H16F3N3O — CID 46616677

IUPACN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CC=CCC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-2,4,7-12H,3,5-6H2,(H,22,24)
InChIKeyXEOUZWXOPWAMKN-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.19
Rot. Bonds3

About N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide

N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide (PubChem CID 46616677) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
PubChem CID46616677
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC NameN-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CC=CCC1
InChIInChI=1S/C17H16F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-2,4,7-12H,3,5-6H2,(H,22,24)
InChIKeyXEOUZWXOPWAMKN-UHFFFAOYSA-N
XLogP4.19
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1S)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 8849710
2-cyclopentyloxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 51117583
ethyl 4-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 26725643
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725448
1-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074970
4-pyrazol-1-yl-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725796
3,4-difluoro-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725502
4-methoxy-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]benzamide
CID 26725440
2-(4-methoxyphenoxy)-N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 26725520
1-[(1S,2S)-2-imidazol-1-ylcyclopentyl]-3-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]urea
CID 96525218
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]cyclobutanecarboxamide
CID 172916327

Frequently Asked Questions

What is the IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide (CID 46616677) is N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide is O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)C1CC=CCC1.
What is the InChIKey of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is XEOUZWXOPWAMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O/c18-17(19,20)13-7-8-15(23-10-4-9-21-23)14(11-13)22-16(24)12-5-2-1-3-6-12/h1-2,4,7-12H,3,5-6H2,(H,22,24).
What are the key properties of N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide?
N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 335.33 g/mol, XLogP of 4.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 46616677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).