1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C14H25N3O — CID 104752674

IUPAC1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCN(Cc1cnn(C)c1)CC(O)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-16(9-12-8-15-17(2)10-12)11-14(18)13-6-4-3-5-7-13/h8,10,13-14,18H,3-7,9,11H2,1-2H3
InChIKeyUKNBCTMYUYBZSS-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.79
Rot. Bonds5

About 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 104752674) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID104752674
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCN(Cc1cnn(C)c1)CC(O)C1CCCCC1
InChIInChI=1S/C14H25N3O/c1-16(9-12-8-15-17(2)10-12)11-14(18)13-6-4-3-5-7-13/h8,10,13-14,18H,3-7,9,11H2,1-2H3
InChIKeyUKNBCTMYUYBZSS-UHFFFAOYSA-N
XLogP1.79
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-2-(1-methylpyrazol-4-yl)ethanol
CID 65398921
1-cyclohexyl-N-ethyl-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 104745255
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-cyclohexyl-2-[(4-fluorophenyl)methyl-methylamino]ethanol
CID 104752723
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 62617070
3-cyclohexyl-1-methyl-1-[(1-methylpyrazol-4-yl)methyl]thiourea
CID 113218694
3,3-dimethyl-4-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]butan-2-ol
CID 66452397
N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 60981581
1-cyclooctyl-N-methyl-2-(1-methylpyrazol-4-yl)ethanamine
CID 80602955
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 94032091

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 104752674) is 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is CN(Cc1cnn(C)c1)CC(O)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is UKNBCTMYUYBZSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-16(9-12-8-15-17(2)10-12)11-14(18)13-6-4-3-5-7-13/h8,10,13-14,18H,3-7,9,11H2,1-2H3.
What are the key properties of 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 251.37 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 104752674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).