4-methyl-5-(oxolan-3-yl)-1H-pyrazole

C8H12N2O — CID 90029563

IUPAC4-methyl-5-(oxolan-3-yl)-1H-pyrazole
SMILESCc1cn[nH]c1C1CCOC1
InChIInChI=1S/C8H12N2O/c1-6-4-9-10-8(6)7-2-3-11-5-7/h4,7H,2-3,5H2,1H3,(H,9,10)
InChIKeyLQDKATHAJSAXMC-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.22
Rot. Bonds1

About 4-methyl-5-(oxolan-3-yl)-1H-pyrazole

4-methyl-5-(oxolan-3-yl)-1H-pyrazole (PubChem CID 90029563) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 4-methyl-5-(oxolan-3-yl)-1H-pyrazole.

Molecular Properties

Compound Name4-methyl-5-(oxolan-3-yl)-1H-pyrazole
PubChem CID90029563
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name4-methyl-5-(oxolan-3-yl)-1H-pyrazole
SMILESCc1cn[nH]c1C1CCOC1
InChIInChI=1S/C8H12N2O/c1-6-4-9-10-8(6)7-2-3-11-5-7/h4,7H,2-3,5H2,1H3,(H,9,10)
InChIKeyLQDKATHAJSAXMC-UHFFFAOYSA-N
XLogP1.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-methyl-5-(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

5-(oxan-4-yl)-1H-pyrazole
CID 90029737
5-[(R)-fluoro(oxetan-3-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole
CID 175875310
5-[(S)-fluoro(oxetan-3-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole
CID 175875549
5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
CID 176568097
methyl 3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213234
6,6-dimethyl-4,7-dihydro-1H-pyrano[3,4-d]pyrazole
CID 12217000
4-(oxan-3-yl)-5-propyl-1H-pyrazole
CID 53826315
2-(4-methyl-1H-pyrazol-5-yl)ethanol
CID 54437103
5-ethyl-4-(2-propan-2-yl-1,3-dioxepan-5-yl)-1H-pyrazole
CID 54445802
4-(oxolan-3-yl)-5-propyl-1H-pyrazole
CID 57139432
4-tert-butyl-5-(2-methoxyethyl)-1H-pyrazole
CID 58477502
4-ethyl-5-(2-methoxyethyl)-1H-pyrazole
CID 68223161

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(oxolan-3-yl)-1H-pyrazole?
The IUPAC name of 4-methyl-5-(oxolan-3-yl)-1H-pyrazole (CID 90029563) is 4-methyl-5-(oxolan-3-yl)-1H-pyrazole.
What is the SMILES notation for 4-methyl-5-(oxolan-3-yl)-1H-pyrazole?
The canonical SMILES for 4-methyl-5-(oxolan-3-yl)-1H-pyrazole is Cc1cn[nH]c1C1CCOC1.
What is the InChIKey of 4-methyl-5-(oxolan-3-yl)-1H-pyrazole?
The InChIKey is LQDKATHAJSAXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-4-9-10-8(6)7-2-3-11-5-7/h4,7H,2-3,5H2,1H3,(H,9,10).
What are the key properties of 4-methyl-5-(oxolan-3-yl)-1H-pyrazole?
4-methyl-5-(oxolan-3-yl)-1H-pyrazole has a molecular weight of 152.20 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(oxolan-3-yl)-1H-pyrazole is sourced from PubChem (CID 90029563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).