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

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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).