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

C10H18N2O — CID 143510060

IUPACethane;4-methyl-1-(oxolan-3-yl)pyrazole
SMILESCC.Cc1cnn(C2CCOC2)c1
InChIInChI=1S/C8H12N2O.C2H6/c1-7-4-9-10(5-7)8-2-3-11-6-8;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3
InChIKeySZXIJCPZUNQKDY-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.18
Rot. Bonds1

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

ethane;4-methyl-1-(oxolan-3-yl)pyrazole (PubChem CID 143510060) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxolan-3-yl)pyrazole.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxolan-3-yl)pyrazole
PubChem CID143510060
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;4-methyl-1-(oxolan-3-yl)pyrazole
SMILESCC.Cc1cnn(C2CCOC2)c1
InChIInChI=1S/C8H12N2O.C2H6/c1-7-4-9-10(5-7)8-2-3-11-6-8;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3
InChIKeySZXIJCPZUNQKDY-UHFFFAOYSA-N
XLogP2.18
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;4-methyl-1-(oxolan-3-yl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;4-ethyl-1-(oxolan-3-yl)pyrazole
CID 164911737
4-ethyl-1-(oxolan-3-yl)pyrazole
CID 84731626
1-cyclobutyl-4-methylpyrazole
CID 59225391
4-ethynyl-1-(oxolan-3-yl)pyrazole
CID 122240699
1-[(3S)-oxolan-3-yl]pyrazole-4-carbaldehyde
CID 129369752
1-cyclobutyl-4-methylpyrazole;ethane;methanol
CID 162747933
4-[2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]ethyl]morpholine
CID 126947279
2-[1-(oxolan-3-yl)pyrazol-4-yl]propan-1-amine
CID 105449225
1-(oxolan-3-yl)pyrazole-4-sulfonyl fluoride
CID 154832131
5-[1-(oxolan-3-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 67224091
2-methyl-N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564017
N-[[1-(oxolan-3-yl)pyrazol-4-yl]methyl]propan-2-amine
CID 63564015

Frequently Asked Questions

What is the IUPAC name of ethane;4-methyl-1-(oxolan-3-yl)pyrazole?
The IUPAC name of ethane;4-methyl-1-(oxolan-3-yl)pyrazole (CID 143510060) is ethane;4-methyl-1-(oxolan-3-yl)pyrazole.
What is the SMILES notation for ethane;4-methyl-1-(oxolan-3-yl)pyrazole?
The canonical SMILES for ethane;4-methyl-1-(oxolan-3-yl)pyrazole is CC.Cc1cnn(C2CCOC2)c1.
What is the InChIKey of ethane;4-methyl-1-(oxolan-3-yl)pyrazole?
The InChIKey is SZXIJCPZUNQKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-7-4-9-10(5-7)8-2-3-11-6-8;1-2/h4-5,8H,2-3,6H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxolan-3-yl)pyrazole?
ethane;4-methyl-1-(oxolan-3-yl)pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxolan-3-yl)pyrazole is sourced from PubChem (CID 143510060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).