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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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).