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

C11H19N3O — CID 78967242

IUPAC2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
SMILESCn1ccc(CNC2CCCCC2O)n1
InChIInChI=1S/C11H19N3O/c1-14-7-6-9(13-14)8-12-10-4-2-3-5-11(10)15/h6-7,10-12,15H,2-5,8H2,1H3
InChIKeyLHOJNFLBBJMAKC-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.81
Rot. Bonds3

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

2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol (PubChem CID 78967242) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
PubChem CID78967242
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol
SMILESCn1ccc(CNC2CCCCC2O)n1
InChIInChI=1S/C11H19N3O/c1-14-7-6-9(13-14)8-12-10-4-2-3-5-11(10)15/h6-7,10-12,15H,2-5,8H2,1H3
InChIKeyLHOJNFLBBJMAKC-UHFFFAOYSA-N
XLogP0.81
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 103753154
N-[(1-methylpyrazol-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 82866707
1-[(1-methylpyrazol-3-yl)methylamino]-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 114238895
N-[(1-methylpyrazol-3-yl)methyl]piperidin-4-amine
CID 82881493
2-[(1-methylpyrazol-3-yl)amino]cyclopentan-1-ol
CID 79778963
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513
3-N,3-N-dimethyl-1-N-[(1-methylpyrazol-3-yl)methyl]cyclopentane-1,3-diamine
CID 115881332
trans-(1R,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317480
1-N-[(1-methylpyrazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 82882921
1-cyclopentyl-3-[(1-methylpyrazol-3-yl)methylamino]pyrrolidine-2,5-dione
CID 82882121
2-[(2-methylpyrazol-3-yl)methylamino]cycloheptan-1-ol
CID 63301961
N-[(1-methylpyrazol-3-yl)methyl]-1-oxothian-4-amine
CID 82881570

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol (CID 78967242) is 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol is Cn1ccc(CNC2CCCCC2O)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol?
The InChIKey is LHOJNFLBBJMAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-14-7-6-9(13-14)8-12-10-4-2-3-5-11(10)15/h6-7,10-12,15H,2-5,8H2,1H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol?
2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 0.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 78967242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).