N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

C13H18F3N3O — CID 47005590

IUPACN-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O/c1-9-2-4-10(5-3-9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)
InChIKeyKCPXIQBGPZBXMP-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.60
Rot. Bonds3

About N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47005590) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47005590
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C13H18F3N3O/c1-9-2-4-10(5-3-9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20)
InChIKeyKCPXIQBGPZBXMP-UHFFFAOYSA-N
XLogP2.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47005590) is N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC1CCC(NC(=O)Cn2ccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is KCPXIQBGPZBXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-2-4-10(5-3-9)17-12(20)8-19-7-6-11(18-19)13(14,15)16/h6-7,9-10H,2-5,8H2,1H3,(H,17,20).
What are the key properties of N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 289.30 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47005590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).