4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol

C15H27N3O — CID 106132978

IUPAC4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1cc(CNCC2CCC(O)CC2)n(CC)n1
InChIInChI=1S/C15H27N3O/c1-3-13-9-14(18(4-2)17-13)11-16-10-12-5-7-15(19)8-6-12/h9,12,15-16,19H,3-8,10-11H2,1-2H3
InChIKeyOCUPHBXNWLHNHY-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.11
Rot. Bonds6

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

4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106132978) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106132978
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCc1cc(CNCC2CCC(O)CC2)n(CC)n1
InChIInChI=1S/C15H27N3O/c1-3-13-9-14(18(4-2)17-13)11-16-10-12-5-7-15(19)8-6-12/h9,12,15-16,19H,3-8,10-11H2,1-2H3
InChIKeyOCUPHBXNWLHNHY-UHFFFAOYSA-N
XLogP2.11
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
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
4-amino-4-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]cyclohexan-1-ol
CID 165667217
cis-4-(3,5-Diisopropyl-pyrazol-1-yl)-cyclohexanol
CID 58256803
4-(3-Methyl-5-propan-2-ylpyrazol-1-yl)cyclohexan-1-ol
CID 122630979
2-Amino-4-(3-methyl-5-propan-2-ylpyrazol-1-yl)cyclopentan-1-ol
CID 122630987
6-(3-Ethyl-1-propan-2-ylpyrazol-5-yl)bicyclo[3.1.0]hexan-3-ol
CID 123183517

Frequently Asked Questions

What is the IUPAC name of 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol (CID 106132978) is 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is CCc1cc(CNCC2CCC(O)CC2)n(CC)n1.
What is the InChIKey of 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is OCUPHBXNWLHNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-13-9-14(18(4-2)17-13)11-16-10-12-5-7-15(19)8-6-12/h9,12,15-16,19H,3-8,10-11H2,1-2H3.
What are the key properties of 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1,3-diethylpyrazol-5-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106132978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).