ethane;4-ethyl-1-(oxolan-3-yl)pyrazole

C11H20N2O — CID 164911737

IUPACethane;4-ethyl-1-(oxolan-3-yl)pyrazole
SMILESCC.CCc1cnn(C2CCOC2)c1
InChIInChI=1S/C9H14N2O.C2H6/c1-2-8-5-10-11(6-8)9-3-4-12-7-9;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3
InChIKeyFYNSJZTVESGLRR-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.43
Rot. Bonds2

About ethane;4-ethyl-1-(oxolan-3-yl)pyrazole

ethane;4-ethyl-1-(oxolan-3-yl)pyrazole (PubChem CID 164911737) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane;4-ethyl-1-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Nameethane;4-ethyl-1-(oxolan-3-yl)pyrazole
PubChem CID164911737
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Nameethane;4-ethyl-1-(oxolan-3-yl)pyrazole
SMILESCC.CCc1cnn(C2CCOC2)c1
InChIInChI=1S/C9H14N2O.C2H6/c1-2-8-5-10-11(6-8)9-3-4-12-7-9;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3
InChIKeyFYNSJZTVESGLRR-UHFFFAOYSA-N
XLogP2.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
ethane;4-methyl-1-(oxolan-3-yl)pyrazole
CID 143510060
N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564015
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
3-[1-[(3S)-oxolan-3-yl]pyrazol-4-yl]propanoic acid
CID 129462871
2-methyl-3-[1-(oxolan-3-yl)pyrazol-4-yl]propanoic acid
CID 105481832
4-(2-bromoethyl)-1-(oxan-4-yl)pyrazole
CID 164658352
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
4-ethyl-1-(3-fluorocyclobutyl)pyrazole
CID 172592859
2-[1-(oxan-4-yl)pyrazol-4-yl]ethanamine
CID 63937711
4-ethynyl-1-(oxolan-3-yl)pyrazole
CID 122240699
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-1-(oxolan-3-yl)pyrazole?
The IUPAC name of ethane;4-ethyl-1-(oxolan-3-yl)pyrazole (CID 164911737) is ethane;4-ethyl-1-(oxolan-3-yl)pyrazole.
What is the SMILES notation for ethane;4-ethyl-1-(oxolan-3-yl)pyrazole?
The canonical SMILES for ethane;4-ethyl-1-(oxolan-3-yl)pyrazole is CC.CCc1cnn(C2CCOC2)c1.
What is the InChIKey of ethane;4-ethyl-1-(oxolan-3-yl)pyrazole?
The InChIKey is FYNSJZTVESGLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O.C2H6/c1-2-8-5-10-11(6-8)9-3-4-12-7-9;1-2/h5-6,9H,2-4,7H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-1-(oxolan-3-yl)pyrazole?
ethane;4-ethyl-1-(oxolan-3-yl)pyrazole has a molecular weight of 196.29 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-1-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 164911737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).