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

C12H20N2O — CID 82869191

IUPAC4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C12H20N2O/c1-10-3-6-12(15,7-4-10)9-11-5-8-14(2)13-11/h5,8,10,15H,3-4,6-7,9H2,1-2H3
InChIKeyBXKCGSHOIGRWPZ-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.90
Rot. Bonds2

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

4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (PubChem CID 82869191) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
PubChem CID82869191
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol
SMILESCC1CCC(O)(Cc2ccn(C)n2)CC1
InChIInChI=1S/C12H20N2O/c1-10-3-6-12(15,7-4-10)9-11-5-8-14(2)13-11/h5,8,10,15H,3-4,6-7,9H2,1-2H3
InChIKeyBXKCGSHOIGRWPZ-UHFFFAOYSA-N
XLogP1.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol (CID 82869191) is 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is CC1CCC(O)(Cc2ccn(C)n2)CC1.
What is the InChIKey of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
The InChIKey is BXKCGSHOIGRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-10-3-6-12(15,7-4-10)9-11-5-8-14(2)13-11/h5,8,10,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol?
4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylpyrazol-3-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 82869191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).