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

C13H18F3N3O — CID 47162806

IUPACN-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCC(NC(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-3-2-4-10(7-9)17-12(20)8-19-6-5-11(18-19)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyUASVDPYZDPMKBL-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.60
Rot. Bonds3

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

N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 47162806) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID47162806
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC NameN-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCC1CCCC(NC(=O)Cn2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O/c1-9-3-2-4-10(7-9)17-12(20)8-19-6-5-11(18-19)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20)
InChIKeyUASVDPYZDPMKBL-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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Related Compounds

N-tert-butyl-2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 2809211
N-[(Z)-(2-methylcyclohexylidene)amino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 6219663
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclohex-3-enecarboxamide
CID 71808053
N-(2-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 47005565
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-2-(3-methyl-1H-pyrazol-1-YL)acetamide
CID 91923159
(1S,11R)-2-[2-(3-methylpyrazol-1-yl)acetyl]-2,9-diazabicyclo[9.4.0]pentadecan-10-one
CID 110201270
N-(hexan-2-ylideneamino)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4350479
N-[(E)-hexan-2-ylideneamino]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 9658809
n-(Tert-pentyl)-2-(3-(trifluoromethyl)-1h-pyrazol-1-yl)acetamide
CID 45794451
N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)cyclobutanecarboxamide
CID 71808000

Frequently Asked Questions

What is the IUPAC name of N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 47162806) is N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is CC1CCCC(NC(=O)Cn2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is UASVDPYZDPMKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-9-3-2-4-10(7-9)17-12(20)8-19-6-5-11(18-19)13(14,15)16/h5-6,9-10H,2-4,7-8H2,1H3,(H,17,20).
What are the key properties of N-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-(3-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-(3-methylcyclohexyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 47162806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).