[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol

C17H31N3O — CID 83090339

IUPAC[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C17H31N3O/c1-13-7-6-8-17(9-13,12-21)18-10-14-11-20(5)19-15(14)16(2,3)4/h11,13,18,21H,6-10,12H2,1-5H3
InChIKeyVHKQMTPGAZUMNV-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.75
Rot. Bonds4

About [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol

[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol (PubChem CID 83090339) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
PubChem CID83090339
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)nc2C(C)(C)C)C1
InChIInChI=1S/C17H31N3O/c1-13-7-6-8-17(9-13,12-21)18-10-14-11-20(5)19-15(14)16(2,3)4/h11,13,18,21H,6-10,12H2,1-5H3
InChIKeyVHKQMTPGAZUMNV-UHFFFAOYSA-N
XLogP2.75
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol?
The IUPAC name of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol (CID 83090339) is [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol is CC1CCCC(CO)(NCc2cn(C)nc2C(C)(C)C)C1.
What is the InChIKey of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol?
The InChIKey is VHKQMTPGAZUMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13-7-6-8-17(9-13,12-21)18-10-14-11-20(5)19-15(14)16(2,3)4/h11,13,18,21H,6-10,12H2,1-5H3.
What are the key properties of [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol?
[1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol has a molecular weight of 293.45 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-tert-butyl-1-methylpyrazol-4-yl)methylamino]-3-methylcyclohexyl]methanol is sourced from PubChem (CID 83090339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).