[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol

C15H27N3O — CID 55086977

IUPAC[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1nn(C)c(C)c1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C15H27N3O/c1-11-5-7-15(10-19,8-6-11)16-9-14-12(2)17-18(4)13(14)3/h11,16,19H,5-10H2,1-4H3
InChIKeyJQLMOGLIRDKZAU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.07
Rot. Bonds4

About [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol

[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 55086977) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID55086977
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCc1nn(C)c(C)c1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C15H27N3O/c1-11-5-7-15(10-19,8-6-11)16-9-14-12(2)17-18(4)13(14)3/h11,16,19H,5-10H2,1-4H3
InChIKeyJQLMOGLIRDKZAU-UHFFFAOYSA-N
XLogP2.07
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 55086977) is [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol is Cc1nn(C)c(C)c1CNC1(CO)CCC(C)CC1.
What is the InChIKey of [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is JQLMOGLIRDKZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11-5-7-15(10-19,8-6-11)16-9-14-12(2)17-18(4)13(14)3/h11,16,19H,5-10H2,1-4H3.
What are the key properties of [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
[4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 265.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 55086977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).