[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol

C16H29N3O — CID 62551827

IUPAC[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)nc2C(C)C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)15-14(10-19(4)18-15)9-17-16(11-20)7-5-6-13(3)8-16/h10,12-13,17,20H,5-9,11H2,1-4H3
InChIKeyCOZPUKREYINYNU-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.57
Rot. Bonds5

About [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol

[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 62551827) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID62551827
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCC1CCCC(CO)(NCc2cn(C)nc2C(C)C)C1
InChIInChI=1S/C16H29N3O/c1-12(2)15-14(10-19(4)18-15)9-17-16(11-20)7-5-6-13(3)8-16/h10,12-13,17,20H,5-9,11H2,1-4H3
InChIKeyCOZPUKREYINYNU-UHFFFAOYSA-N
XLogP2.57
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 62551827) is [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol is CC1CCCC(CO)(NCc2cn(C)nc2C(C)C)C1.
What is the InChIKey of [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is COZPUKREYINYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)15-14(10-19(4)18-15)9-17-16(11-20)7-5-6-13(3)8-16/h10,12-13,17,20H,5-9,11H2,1-4H3.
What are the key properties of [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
[3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 279.43 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 62551827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).