3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

C14H25N3O — CID 43792365

IUPAC3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)c1nn(C)cc1CNC1CCCC(O)C1
InChIInChI=1S/C14H25N3O/c1-10(2)14-11(9-17(3)16-14)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3
InChIKeyZATBXWBGSBMUII-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.94
Rot. Bonds4

About 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol

3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 43792365) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID43792365
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCC(C)c1nn(C)cc1CNC1CCCC(O)C1
InChIInChI=1S/C14H25N3O/c1-10(2)14-11(9-17(3)16-14)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3
InChIKeyZATBXWBGSBMUII-UHFFFAOYSA-N
XLogP1.94
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol (CID 43792365) is 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is CC(C)c1nn(C)cc1CNC1CCCC(O)C1.
What is the InChIKey of 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is ZATBXWBGSBMUII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-10(2)14-11(9-17(3)16-14)8-15-12-5-4-6-13(18)7-12/h9-10,12-13,15,18H,4-8H2,1-3H3.
What are the key properties of 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol?
3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 43792365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).