[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol

C14H25N3O — CID 83089475

IUPAC[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1nn(C)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-6-14(10-18,7-5-11)15-8-13-9-17(3)16-12(13)2/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyWTZHFPLKBVENHJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.76
Rot. Bonds4

About [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol

[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol (PubChem CID 83089475) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
PubChem CID83089475
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol
SMILESCc1nn(C)cc1CNC1(CO)CCC(C)CC1
InChIInChI=1S/C14H25N3O/c1-11-4-6-14(10-18,7-5-11)15-8-13-9-17(3)16-12(13)2/h9,11,15,18H,4-8,10H2,1-3H3
InChIKeyWTZHFPLKBVENHJ-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The IUPAC name of [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol (CID 83089475) is [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol is Cc1nn(C)cc1CNC1(CO)CCC(C)CC1.
What is the InChIKey of [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
The InChIKey is WTZHFPLKBVENHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11-4-6-14(10-18,7-5-11)15-8-13-9-17(3)16-12(13)2/h9,11,15,18H,4-8,10H2,1-3H3.
What are the key properties of [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol?
[1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,3-dimethylpyrazol-4-yl)methylamino]-4-methylcyclohexyl]methanol is sourced from PubChem (CID 83089475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).