2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C17H26F3N3O — CID 122142486

IUPAC2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C17H26F3N3O/c1-11(10-14-12(2)22-23(4)13(14)3)15(24)21-16(17(18,19)20)8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H,21,24)
InChIKeyBCALODMXVIHTSJ-UHFFFAOYSA-N
MW345.41 g/mol
LogP3.60
Rot. Bonds4

About 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 122142486) has the molecular formula C17H26F3N3O and a molecular weight of 345.41 g/mol. Its IUPAC name is 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound Name2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID122142486
Molecular FormulaC17H26F3N3O
Molecular Weight345.41 g/mol
Exact Mass345.20
IUPAC Name2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCc1nn(C)c(C)c1CC(C)C(=O)NC1(C(F)(F)F)CCCCC1
InChIInChI=1S/C17H26F3N3O/c1-11(10-14-12(2)22-23(4)13(14)3)15(24)21-16(17(18,19)20)8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H,21,24)
InChIKeyBCALODMXVIHTSJ-UHFFFAOYSA-N
XLogP3.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butyl)-2-[3-(trifluoromethyl)(1H-4,5,6,7-tetrahydroindazolyl)]acetamid e
CID 3136366
N-[3-(trifluoromethyl)cyclohexyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47018724
4,4,4-trifluoro-N-(2-sulfanylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)butanamide
CID 177679964
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(2-sulfanylethyl)propanamide
CID 177679638
2-methyl-N-(2-sulfanylethyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 177679807
N-(2,2,2-trifluoroethyl)-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 49670390
N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53528011
(3S)-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-3-carboxamide
CID 97065153
(2S)-3-[1-(ethoxymethyl)-3,5-dimethylpyrazol-4-yl]-2-methyl-N-(1-methylcyclohexyl)propanamide
CID 164638260
1-[4-[2-[4-Methyl-5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 134331557
1-[4-[2-[5-Ethyl-4-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]piperidin-1-yl]ethanone
CID 134331583
2-[2-Methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-3-yl]acetamide
CID 153322991

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 122142486) is 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is Cc1nn(C)c(C)c1CC(C)C(=O)NC1(C(F)(F)F)CCCCC1.
What is the InChIKey of 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is BCALODMXVIHTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F3N3O/c1-11(10-14-12(2)22-23(4)13(14)3)15(24)21-16(17(18,19)20)8-6-5-7-9-16/h11H,5-10H2,1-4H3,(H,21,24).
What are the key properties of 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 345.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[1-(trifluoromethyl)cyclohexyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 122142486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).