N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

C13H18F3N3O — CID 78975158

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-4-3-5-10(6-9)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySWGFORMDTJJAGF-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.33
Rot. Bonds2

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 78975158) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID78975158
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESCc1n[nH]c(C)c1NC(=O)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C13H18F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-4-3-5-10(6-9)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,19)
InChIKeySWGFORMDTJJAGF-UHFFFAOYSA-N
XLogP3.33
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 78975158) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is Cc1n[nH]c(C)c1NC(=O)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is SWGFORMDTJJAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-7-11(8(2)19-18-7)17-12(20)9-4-3-5-10(6-9)13(14,15)16/h9-10H,3-6H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 289.30 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 78975158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).