5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole

C13H22N2O2 — CID 81174364

IUPAC5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C13H22N2O2/c1-3-16-13(17-4-2)12-9-11(14-15-12)10-7-5-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCMTNFGXUWPJOMT-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.14
Rot. Bonds6

About 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole

5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole (PubChem CID 81174364) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole
PubChem CID81174364
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole
SMILESCCOC(OCC)c1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C13H22N2O2/c1-3-16-13(17-4-2)12-9-11(14-15-12)10-7-5-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15)
InChIKeyCMTNFGXUWPJOMT-UHFFFAOYSA-N
XLogP3.14
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole?
The IUPAC name of 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole (CID 81174364) is 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole.
What is the SMILES notation for 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole?
The canonical SMILES for 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole is CCOC(OCC)c1cc(C2CCCC2)[nH]n1.
What is the InChIKey of 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole?
The InChIKey is CMTNFGXUWPJOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-16-13(17-4-2)12-9-11(14-15-12)10-7-5-6-8-10/h9-10,13H,3-8H2,1-2H3,(H,14,15).
What are the key properties of 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole?
5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole has a molecular weight of 238.33 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(diethoxymethyl)-1H-pyrazole is sourced from PubChem (CID 81174364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).