2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

C12H21N3O — CID 82870793

IUPAC2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCn1ccc(CC2(CN)CCCCC2O)n1
InChIInChI=1S/C12H21N3O/c1-15-7-5-10(14-15)8-12(9-13)6-3-2-4-11(12)16/h5,7,11,16H,2-4,6,8-9,13H2,1H3
InChIKeyLWMKNPWFLANGNL-UHFFFAOYSA-N
MW223.32 g/mol
LogP0.84
Rot. Bonds3

About 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol

2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 82870793) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID82870793
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCn1ccc(CC2(CN)CCCCC2O)n1
InChIInChI=1S/C12H21N3O/c1-15-7-5-10(14-15)8-12(9-13)6-3-2-4-11(12)16/h5,7,11,16H,2-4,6,8-9,13H2,1H3
InChIKeyLWMKNPWFLANGNL-UHFFFAOYSA-N
XLogP0.84
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[(1-methylpyrazol-3-yl)methyl]cyclooctyl]methanamine
CID 82870564
[1-[(1-methylpyrazol-3-yl)methyl]cyclobutyl]methanamine
CID 82871669
2-tert-butyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 82869975
2-(aminomethyl)-2-[(2-methylphenyl)methyl]cyclohexan-1-ol
CID 65393602
2-cyclohexyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869673
1-[(1-methylpyrazol-3-yl)methyl]-2-propan-2-ylcyclohexan-1-ol
CID 82870101
[3-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclopentyl]methanamine
CID 82871482
1-[(1-methylpyrazol-3-yl)methyl]cyclobutan-1-ol
CID 82870094
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
2-(aminomethyl)-2-[(2,4,6-trimethylphenyl)methyl]cyclohexan-1-ol
CID 65393815
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
CID 82869191
3-[[1-(bromomethyl)cyclopentyl]methyl]-1-methylpyrazole
CID 82872091

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 82870793) is 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is Cn1ccc(CC2(CN)CCCCC2O)n1.
What is the InChIKey of 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is LWMKNPWFLANGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-7-5-10(14-15)8-12(9-13)6-3-2-4-11(12)16/h5,7,11,16H,2-4,6,8-9,13H2,1H3.
What are the key properties of 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 0.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 82870793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).