1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide

C15H22F3N3O — CID 154833685

IUPAC1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H22F3N3O/c1-14(2,3)21-9-10(8-19-21)13(22)20-12-6-4-11(5-7-12)15(16,17)18/h8-9,11-12H,4-7H2,1-3H3,(H,20,22)
InChIKeyZXYMYPYPUPGPOD-UHFFFAOYSA-N
MW317.36 g/mol
LogP3.49
Rot. Bonds2

About 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide

1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide (PubChem CID 154833685) has the molecular formula C15H22F3N3O and a molecular weight of 317.36 g/mol. Its IUPAC name is 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
PubChem CID154833685
Molecular FormulaC15H22F3N3O
Molecular Weight317.36 g/mol
Exact Mass317.17
IUPAC Name1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide
SMILESCC(C)(C)n1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cn1
InChIInChI=1S/C15H22F3N3O/c1-14(2,3)21-9-10(8-19-21)13(22)20-12-6-4-11(5-7-12)15(16,17)18/h8-9,11-12H,4-7H2,1-3H3,(H,20,22)
InChIKeyZXYMYPYPUPGPOD-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.36
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide (CID 154833685) is 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide is CC(C)(C)n1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cn1.
What is the InChIKey of 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?
The InChIKey is ZXYMYPYPUPGPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O/c1-14(2,3)21-9-10(8-19-21)13(22)20-12-6-4-11(5-7-12)15(16,17)18/h8-9,11-12H,4-7H2,1-3H3,(H,20,22).
What are the key properties of 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide?
1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide has a molecular weight of 317.36 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[4-(trifluoromethyl)cyclohexyl]pyrazole-4-carboxamide is sourced from PubChem (CID 154833685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).