cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol

C12H20N2O — CID 83090918

IUPACcyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h8,10,12,15H,3-7H2,1-2H3
InChIKeyZSRNTTPBVQIJHH-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.34
Rot. Bonds2

About cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol

cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol (PubChem CID 83090918) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol.

Molecular Properties

Compound Namecyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
PubChem CID83090918
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Namecyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol
SMILESCc1nn(C)cc1C(O)C1CCCCC1
InChIInChI=1S/C12H20N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h8,10,12,15H,3-7H2,1-2H3
InChIKeyZSRNTTPBVQIJHH-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol?
The IUPAC name of cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol (CID 83090918) is cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol.
What is the SMILES notation for cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol?
The canonical SMILES for cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol is Cc1nn(C)cc1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol?
The InChIKey is ZSRNTTPBVQIJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-11(8-14(2)13-9)12(15)10-6-4-3-5-7-10/h8,10,12,15H,3-7H2,1-2H3.
What are the key properties of cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol?
cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol has a molecular weight of 208.30 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(1,3-dimethylpyrazol-4-yl)methanol is sourced from PubChem (CID 83090918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).