[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol

C14H25N3O — CID 103893993

IUPAC[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCCc1nn(C)cc1CNC1CCCCC1CO
InChIInChI=1S/C14H25N3O/c1-3-13-12(9-17(2)16-13)8-15-14-7-5-4-6-11(14)10-18/h9,11,14-15,18H,3-8,10H2,1-2H3
InChIKeyKMIUMOCDTKQXTF-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds5

About [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol

[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol (PubChem CID 103893993) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
PubChem CID103893993
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol
SMILESCCc1nn(C)cc1CNC1CCCCC1CO
InChIInChI=1S/C14H25N3O/c1-3-13-12(9-17(2)16-13)8-15-14-7-5-4-6-11(14)10-18/h9,11,14-15,18H,3-8,10H2,1-2H3
InChIKeyKMIUMOCDTKQXTF-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 112668413
[2-[(1,3-dimethylpyrazol-4-yl)methylamino]cycloheptyl]methanol
CID 109482222
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 112549510
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexane-1-carbonitrile
CID 112668826
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-[[(3-ethyl-1-methylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 112549594
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,5-dimethylcyclohexan-1-amine
CID 112668439
tert-butyl N-[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclopentyl]carbamate
CID 103917664
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2,4,4-trimethylcyclopentan-1-amine
CID 106662742
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]spiro[4.5]decan-8-amine
CID 114817861
[(1S,2R)-2-[(2-methyl-1,2,4-triazol-3-yl)methylamino]cyclohexyl]methanol
CID 99609979
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050

Frequently Asked Questions

What is the IUPAC name of [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol (CID 103893993) is [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol is CCc1nn(C)cc1CNC1CCCCC1CO.
What is the InChIKey of [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
The InChIKey is KMIUMOCDTKQXTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-13-12(9-17(2)16-13)8-15-14-7-5-4-6-11(14)10-18/h9,11,14-15,18H,3-8,10H2,1-2H3.
What are the key properties of [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol?
[2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol has a molecular weight of 251.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 103893993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).