1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide

C14H17F6N3O — CID 75534032

IUPAC1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2c(C(F)(F)F)nn(C)c2C(F)(F)F)CC1
InChIInChI=1S/C14H17F6N3O/c1-7-3-5-8(6-4-7)21-12(24)9-10(13(15,16)17)22-23(2)11(9)14(18,19)20/h7-8H,3-6H2,1-2H3,(H,21,24)
InChIKeyXFMKFQRIRGUUKM-UHFFFAOYSA-N
MW357.30 g/mol
LogP3.77
Rot. Bonds2

About 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 75534032) has the molecular formula C14H17F6N3O and a molecular weight of 357.30 g/mol. Its IUPAC name is 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID75534032
Molecular FormulaC14H17F6N3O
Molecular Weight357.30 g/mol
Exact Mass357.13
IUPAC Name1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2c(C(F)(F)F)nn(C)c2C(F)(F)F)CC1
InChIInChI=1S/C14H17F6N3O/c1-7-3-5-8(6-4-7)21-12(24)9-10(13(15,16)17)22-23(2)11(9)14(18,19)20/h7-8H,3-6H2,1-2H3,(H,21,24)
InChIKeyXFMKFQRIRGUUKM-UHFFFAOYSA-N
XLogP3.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide (CID 75534032) is 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide is CC1CCC(NC(=O)c2c(C(F)(F)F)nn(C)c2C(F)(F)F)CC1.
What is the InChIKey of 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is XFMKFQRIRGUUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F6N3O/c1-7-3-5-8(6-4-7)21-12(24)9-10(13(15,16)17)22-23(2)11(9)14(18,19)20/h7-8H,3-6H2,1-2H3,(H,21,24).
What are the key properties of 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 357.30 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 75534032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).