2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

C12H21N3O — CID 64927615

IUPAC2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CNCC2CCCCC2O)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-10(7-14-15)6-13-8-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3
InChIKeyCPHZBWVAJBIVDX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.06
Rot. Bonds4

About 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol

2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 64927615) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID64927615
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cc(CNCC2CCCCC2O)cn1
InChIInChI=1S/C12H21N3O/c1-15-9-10(7-14-15)6-13-8-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3
InChIKeyCPHZBWVAJBIVDX-UHFFFAOYSA-N
XLogP1.06
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 43370784
N-[(1-methylpyrazol-4-yl)methyl]-1-(1-methylpyrrolidin-3-yl)methanamine
CID 60855406
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 109398502
N-[(1-methylpyrazol-4-yl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 42281898
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
N-[[2-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexyl]methyl]ethanamine
CID 103019952
1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
2-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]cyclohexan-1-amine
CID 106365328
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol (CID 64927615) is 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cc(CNCC2CCCCC2O)cn1.
What is the InChIKey of 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is CPHZBWVAJBIVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-15-9-10(7-14-15)6-13-8-11-4-2-3-5-12(11)16/h7,9,11-13,16H,2-6,8H2,1H3.
What are the key properties of 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol?
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 223.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).