2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol

C15H27N3O2 — CID 110011506

IUPAC2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCOc1c(CN(C)CC2CCCCC2O)c(C)nn1C
InChIInChI=1S/C15H27N3O2/c1-11-13(15(20-4)18(3)16-11)10-17(2)9-12-7-5-6-8-14(12)19/h12,14,19H,5-10H2,1-4H3
InChIKeyLWRFXGBSAKZUFK-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.72
Rot. Bonds5

About 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol

2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol (PubChem CID 110011506) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol
PubChem CID110011506
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol
SMILESCOc1c(CN(C)CC2CCCCC2O)c(C)nn1C
InChIInChI=1S/C15H27N3O2/c1-11-13(15(20-4)18(3)16-11)10-17(2)9-12-7-5-6-8-14(12)19/h12,14,19H,5-10H2,1-4H3
InChIKeyLWRFXGBSAKZUFK-UHFFFAOYSA-N
XLogP1.72
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol (CID 110011506) is 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol is COc1c(CN(C)CC2CCCCC2O)c(C)nn1C.
What is the InChIKey of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol?
The InChIKey is LWRFXGBSAKZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-11-13(15(20-4)18(3)16-11)10-17(2)9-12-7-5-6-8-14(12)19/h12,14,19H,5-10H2,1-4H3.
What are the key properties of 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol?
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol has a molecular weight of 281.40 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl-methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 110011506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).