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

C13H15F6N3O — CID 75534029

IUPACN-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2c(C(F)(F)F)n[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C13H15F6N3O/c1-6-2-4-7(5-3-6)20-11(23)8-9(12(14,15)16)21-22-10(8)13(17,18)19/h6-7H,2-5H2,1H3,(H,20,23)(H,21,22)
InChIKeyZUABGSKWVQMRJG-UHFFFAOYSA-N
MW343.27 g/mol
LogP3.76
Rot. Bonds2

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

N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide (PubChem CID 75534029) has the molecular formula C13H15F6N3O and a molecular weight of 343.27 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide
PubChem CID75534029
Molecular FormulaC13H15F6N3O
Molecular Weight343.27 g/mol
Exact Mass343.11
IUPAC NameN-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide
SMILESCC1CCC(NC(=O)c2c(C(F)(F)F)n[nH]c2C(F)(F)F)CC1
InChIInChI=1S/C13H15F6N3O/c1-6-2-4-7(5-3-6)20-11(23)8-9(12(14,15)16)21-22-10(8)13(17,18)19/h6-7H,2-5H2,1H3,(H,20,23)(H,21,22)
InChIKeyZUABGSKWVQMRJG-UHFFFAOYSA-N
XLogP3.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide (CID 75534029) is N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide is CC1CCC(NC(=O)c2c(C(F)(F)F)n[nH]c2C(F)(F)F)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide?
The InChIKey is ZUABGSKWVQMRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F6N3O/c1-6-2-4-7(5-3-6)20-11(23)8-9(12(14,15)16)21-22-10(8)13(17,18)19/h6-7H,2-5H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide?
N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide has a molecular weight of 343.27 g/mol, XLogP of 3.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-3,5-bis(trifluoromethyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 75534029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).