4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol

C17H23N3O — CID 106126263

IUPAC4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N3O/c21-17-8-6-14(7-9-17)12-18-13-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-5,10-11,14,17-18,21H,6-9,12-13H2
InChIKeyMSNWXYCAACZMGG-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.51
Rot. Bonds5

About 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126263) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126263
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
SMILESOC1CCC(CNCc2ccn(-c3ccccc3)n2)CC1
InChIInChI=1S/C17H23N3O/c21-17-8-6-14(7-9-17)12-18-13-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-5,10-11,14,17-18,21H,6-9,12-13H2
InChIKeyMSNWXYCAACZMGG-UHFFFAOYSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol (CID 106126263) is 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol is OC1CCC(CNCc2ccn(-c3ccccc3)n2)CC1.
What is the InChIKey of 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MSNWXYCAACZMGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c21-17-8-6-14(7-9-17)12-18-13-15-10-11-20(19-15)16-4-2-1-3-5-16/h1-5,10-11,14,17-18,21H,6-9,12-13H2.
What are the key properties of 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).