3,5-diethyl-1-(2-propoxyethyl)pyrazole

C12H22N2O — CID 106458013

IUPAC3,5-diethyl-1-(2-propoxyethyl)pyrazole
SMILESCCCOCCn1nc(CC)cc1CC
InChIInChI=1S/C12H22N2O/c1-4-8-15-9-7-14-12(6-3)10-11(5-2)13-14/h10H,4-9H2,1-3H3
InChIKeyUXWOMBZOEFLWBH-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.43
Rot. Bonds7

About 3,5-diethyl-1-(2-propoxyethyl)pyrazole

3,5-diethyl-1-(2-propoxyethyl)pyrazole (PubChem CID 106458013) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,5-diethyl-1-(2-propoxyethyl)pyrazole.

Molecular Properties

Compound Name3,5-diethyl-1-(2-propoxyethyl)pyrazole
PubChem CID106458013
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3,5-diethyl-1-(2-propoxyethyl)pyrazole
SMILESCCCOCCn1nc(CC)cc1CC
InChIInChI=1S/C12H22N2O/c1-4-8-15-9-7-14-12(6-3)10-11(5-2)13-14/h10H,4-9H2,1-3H3
InChIKeyUXWOMBZOEFLWBH-UHFFFAOYSA-N
XLogP2.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3,5-diethyl-1-propylpyrazole
CID 82699697
3,5-diethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]pyrazole
CID 82699534
1-(3,3-dimethylbutyl)-3,5-diethylpyrazole
CID 82698927
3-(3,5-diethylpyrazol-1-yl)propan-1-ol
CID 82694262
(3-ethyl-1-propylpyrazol-5-yl)methanol
CID 122663118
1-(1,3-diethylpyrazol-5-yl)-N-methyl-4-propoxybutan-2-amine
CID 105161582
ethyl 3-(3,5-diethylpyrazol-1-yl)propanoate
CID 82693116
[4-[3-(3,5-diethylpyrazol-1-yl)propoxy]phenyl]methanamine
CID 82696076
1-[(1,3-diethylpyrazol-5-yl)methyl]-3,5-diethylpyrazole
CID 82699372
[2-(2-propoxyethyl)pyrazol-3-yl]methanamine
CID 106458252
5-(3,5-diethylpyrazol-1-yl)pentanoic acid
CID 82693000
1-[2-[2-(3,5-diethylpyrazol-1-yl)ethoxy]phenyl]ethanone
CID 82698498

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1-(2-propoxyethyl)pyrazole?
The IUPAC name of 3,5-diethyl-1-(2-propoxyethyl)pyrazole (CID 106458013) is 3,5-diethyl-1-(2-propoxyethyl)pyrazole.
What is the SMILES notation for 3,5-diethyl-1-(2-propoxyethyl)pyrazole?
The canonical SMILES for 3,5-diethyl-1-(2-propoxyethyl)pyrazole is CCCOCCn1nc(CC)cc1CC.
What is the InChIKey of 3,5-diethyl-1-(2-propoxyethyl)pyrazole?
The InChIKey is UXWOMBZOEFLWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-4-8-15-9-7-14-12(6-3)10-11(5-2)13-14/h10H,4-9H2,1-3H3.
What are the key properties of 3,5-diethyl-1-(2-propoxyethyl)pyrazole?
3,5-diethyl-1-(2-propoxyethyl)pyrazole has a molecular weight of 210.32 g/mol, XLogP of 2.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1-(2-propoxyethyl)pyrazole is sourced from PubChem (CID 106458013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).