ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole

C10H18N2O — CID 144669764

IUPACethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
SMILESCC.Cc1cc(C2CCOC2)n[nH]1
InChIInChI=1S/C8H12N2O.C2H6/c1-6-4-8(10-9-6)7-2-3-11-5-7;1-2/h4,7H,2-3,5H2,1H3,(H,9,10);1-2H3
InChIKeyLABAUTREOKLDNK-UHFFFAOYSA-N
MW182.27 g/mol
LogP2.25
Rot. Bonds1

About ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole

ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole (PubChem CID 144669764) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Nameethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
PubChem CID144669764
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Nameethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole
SMILESCC.Cc1cc(C2CCOC2)n[nH]1
InChIInChI=1S/C8H12N2O.C2H6/c1-6-4-8(10-9-6)7-2-3-11-5-7;1-2/h4,7H,2-3,5H2,1H3,(H,9,10);1-2H3
InChIKeyLABAUTREOKLDNK-UHFFFAOYSA-N
XLogP2.25
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethane;5-methyl-3-(oxolan-3-yl)-1H-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

3-cyclohexyl-5-methyl-1H-pyrazole;ethane
CID 144662747
N-[(5-methyl-1H-pyrazol-3-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125170815
5-methyl-3-(1-methylpyrrolidin-3-yl)-1H-pyrazole
CID 116856668
2-[(3S)-3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 97004492
(1S)-1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanamine
CID 82408330
1-[5-(oxolan-3-yl)-1H-pyrazol-3-yl]ethanone
CID 115092194
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 125164970
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 125164969
5-methyl-N-(oxan-4-yl)-1H-pyrazol-3-amine;hydrochloride
CID 67008553
3-(oxolan-3-yl)-1,2-oxazole
CID 114763668
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-N-methyl-6-(oxolan-3-yl)pyrimidin-4-amine
CID 118778875
4-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 118771530

Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole?
The IUPAC name of ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole (CID 144669764) is ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole.
What is the SMILES notation for ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole?
The canonical SMILES for ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole is CC.Cc1cc(C2CCOC2)n[nH]1.
What is the InChIKey of ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole?
The InChIKey is LABAUTREOKLDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O.C2H6/c1-6-4-8(10-9-6)7-2-3-11-5-7;1-2/h4,7H,2-3,5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole?
ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole has a molecular weight of 182.27 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-3-(oxolan-3-yl)-1H-pyrazole is sourced from PubChem (CID 144669764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).