2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

C17H25F3N4O2 — CID 136540150

IUPAC2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC1CCC(O)C(C2CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C17H25F3N4O2/c1-10-5-6-14(25)11(8-10)13-4-3-7-24(13)16(26)21-12-9-23(2)22-15(12)17(18,19)20/h9-11,13-14,25H,3-8H2,1-2H3,(H,21,26)
InChIKeyXXKGJUPJNISIDE-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide

2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (PubChem CID 136540150) has the molecular formula C17H25F3N4O2 and a molecular weight of 374.41 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
PubChem CID136540150
Molecular FormulaC17H25F3N4O2
Molecular Weight374.41 g/mol
Exact Mass374.19
IUPAC Name2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
SMILESCC1CCC(O)C(C2CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)C1
InChIInChI=1S/C17H25F3N4O2/c1-10-5-6-14(25)11(8-10)13-4-3-7-24(13)16(26)21-12-9-23(2)22-15(12)17(18,19)20/h9-11,13-14,25H,3-8H2,1-2H3,(H,21,26)
InChIKeyXXKGJUPJNISIDE-UHFFFAOYSA-N
XLogP3.23
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(1S)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carboxamide
CID 124739584
2-[(1S,3R)-3-methylcyclohexyl]oxy-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]acetamide
CID 99776417
1-[(2R)-2-[(1S,2S,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]ethanone
CID 124874523
1-(cyclobutylmethyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 146129965
(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]-N-[2-(methylsulfamoyl)ethyl]pyrrolidine-1-carboxamide
CID 124844803
[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methanone
CID 95292687
(2R)-N-(3-ethyl-1-methylpyrazol-4-yl)-2-(2-hydroxypropan-2-yl)pyrrolidine-1-carboxamide
CID 97340363
(3-fluoro-4-methylphenyl)-[(2R)-2-[(1S,2R,5R)-2-hydroxy-5-methylcyclohexyl]pyrrolidin-1-yl]methanone
CID 125141199
methyl 5-[(2R)-2-[(1S,2S,5S)-2-hydroxy-5-methylcyclohexyl]pyrrolidine-1-carbonyl]furan-2-carboxylate
CID 100701773
1-[2-(2-hydroxy-5-methylcyclohexyl)pyrrolidin-1-yl]-2-imidazol-1-ylethanone
CID 136540092
1-methyl-5-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]carbamoyl]pyrazole-4-carboxylic acid
CID 29097233
1-methyl-N-[2-(3-methylcyclohexyl)phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 150946282

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The IUPAC name of 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide (CID 136540150) is 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is CC1CCC(O)C(C2CCCN2C(=O)Nc2cn(C)nc2C(F)(F)F)C1.
What is the InChIKey of 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
The InChIKey is XXKGJUPJNISIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O2/c1-10-5-6-14(25)11(8-10)13-4-3-7-24(13)16(26)21-12-9-23(2)22-15(12)17(18,19)20/h9-11,13-14,25H,3-8H2,1-2H3,(H,21,26).
What are the key properties of 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide?
2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide has a molecular weight of 374.41 g/mol, XLogP of 3.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylcyclohexyl)-N-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 136540150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).