ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol

C13H24N2O — CID 144624989

IUPACethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCC.CC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-3-6-11(14,7-4-9)10-5-8-12-13(10)2;1-2/h5,8-9,14H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyFKCSJJDERYUXRB-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.84
Rot. Bonds1

About ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol

ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol (PubChem CID 144624989) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol.

Molecular Properties

Compound Nameethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
PubChem CID144624989
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Nameethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol
SMILESCC.CC1CCC(O)(c2ccnn2C)CC1
InChIInChI=1S/C11H18N2O.C2H6/c1-9-3-6-11(14,7-4-9)10-5-8-12-13(10)2;1-2/h5,8-9,14H,3-4,6-7H2,1-2H3;1-2H3
InChIKeyFKCSJJDERYUXRB-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The IUPAC name of ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol (CID 144624989) is ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol.
What is the SMILES notation for ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The canonical SMILES for ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol is CC.CC1CCC(O)(c2ccnn2C)CC1.
What is the InChIKey of ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
The InChIKey is FKCSJJDERYUXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.C2H6/c1-9-3-6-11(14,7-4-9)10-5-8-12-13(10)2;1-2/h5,8-9,14H,3-4,6-7H2,1-2H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol?
ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(2-methylpyrazol-3-yl)cyclohexan-1-ol is sourced from PubChem (CID 144624989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).