4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C14H25N3O — CID 106133674

IUPAC4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1cc(CNCC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C14H25N3O/c1-3-12-8-13(17(2)16-12)10-15-9-11-4-6-14(18)7-5-11/h8,11,14-15,18H,3-7,9-10H2,1-2H3
InChIKeyMFLCIQLJBAOJTN-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.62
Rot. Bonds5

About 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol

4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106133674) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106133674
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1cc(CNCC2CCC(O)CC2)n(C)n1
InChIInChI=1S/C14H25N3O/c1-3-12-8-13(17(2)16-12)10-15-9-11-4-6-14(18)7-5-11/h8,11,14-15,18H,3-7,9-10H2,1-2H3
InChIKeyMFLCIQLJBAOJTN-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

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Related Compounds

(2R)-2-cyclohexyl-2-[2-(3,5-dimethylpyrazol-1-yl)ethylamino]propan-1-ol
CID 96415702
4-[[3-Tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041996
Ethane;4-[[3-propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041997
4-[[3-Methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 166833817
N-ethyl-1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-4-methylpentan-1-amine
CID 103031344
1-(2-ethyl-5-methylpyrazol-3-yl)-4-methoxy-N,4-dimethylpentan-1-amine
CID 103031345
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031350
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-4-methoxy-4-methylpentan-1-amine
CID 103031441
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methyl-N-propylpentan-1-amine
CID 103031679
4-[[3-Propan-2-yl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
CID 157041998
3-(3,5-dimethyl-1H-pyrazol-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165496911
4-(aminomethyl)-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]cyclohexan-1-ol
CID 165633676

Frequently Asked Questions

What is the IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 106133674) is 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is CCc1cc(CNCC2CCC(O)CC2)n(C)n1.
What is the InChIKey of 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is MFLCIQLJBAOJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-3-12-8-13(17(2)16-12)10-15-9-11-4-6-14(18)7-5-11/h8,11,14-15,18H,3-7,9-10H2,1-2H3.
What are the key properties of 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 251.37 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-ethyl-1-methylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106133674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).