3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol

C12H20N2O — CID 79643740

IUPAC3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCCc1c(C)nn(C2CCC(O)C2)c1C
InChIInChI=1S/C12H20N2O/c1-4-12-8(2)13-14(9(12)3)10-5-6-11(15)7-10/h10-11,15H,4-7H2,1-3H3
InChIKeyYNESVGFISRXGFC-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.15
Rot. Bonds2

About 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol

3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol (PubChem CID 79643740) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
PubChem CID79643740
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol
SMILESCCc1c(C)nn(C2CCC(O)C2)c1C
InChIInChI=1S/C12H20N2O/c1-4-12-8(2)13-14(9(12)3)10-5-6-11(15)7-10/h10-11,15H,4-7H2,1-3H3
InChIKeyYNESVGFISRXGFC-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The IUPAC name of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol (CID 79643740) is 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol is CCc1c(C)nn(C2CCC(O)C2)c1C.
What is the InChIKey of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
The InChIKey is YNESVGFISRXGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12-8(2)13-14(9(12)3)10-5-6-11(15)7-10/h10-11,15H,4-7H2,1-3H3.
What are the key properties of 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol?
3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethyl-3,5-dimethylpyrazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 79643740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).