1-methyl-5-(4-methyloxan-2-yl)pyrazole

C10H16N2O — CID 174052764

IUPAC1-methyl-5-(4-methyloxan-2-yl)pyrazole
SMILESCC1CCOC(c2ccnn2C)C1
InChIInChI=1S/C10H16N2O/c1-8-4-6-13-10(7-8)9-3-5-11-12(9)2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyXNNOIXFNADKAOT-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.91
Rot. Bonds1

About 1-methyl-5-(4-methyloxan-2-yl)pyrazole

1-methyl-5-(4-methyloxan-2-yl)pyrazole (PubChem CID 174052764) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-methyl-5-(4-methyloxan-2-yl)pyrazole.

Molecular Properties

Compound Name1-methyl-5-(4-methyloxan-2-yl)pyrazole
PubChem CID174052764
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name1-methyl-5-(4-methyloxan-2-yl)pyrazole
SMILESCC1CCOC(c2ccnn2C)C1
InChIInChI=1S/C10H16N2O/c1-8-4-6-13-10(7-8)9-3-5-11-12(9)2/h3,5,8,10H,4,6-7H2,1-2H3
InChIKeyXNNOIXFNADKAOT-UHFFFAOYSA-N
XLogP1.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-methyloxan-2-yl)pyrazole?
The IUPAC name of 1-methyl-5-(4-methyloxan-2-yl)pyrazole (CID 174052764) is 1-methyl-5-(4-methyloxan-2-yl)pyrazole.
What is the SMILES notation for 1-methyl-5-(4-methyloxan-2-yl)pyrazole?
The canonical SMILES for 1-methyl-5-(4-methyloxan-2-yl)pyrazole is CC1CCOC(c2ccnn2C)C1.
What is the InChIKey of 1-methyl-5-(4-methyloxan-2-yl)pyrazole?
The InChIKey is XNNOIXFNADKAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8-4-6-13-10(7-8)9-3-5-11-12(9)2/h3,5,8,10H,4,6-7H2,1-2H3.
What are the key properties of 1-methyl-5-(4-methyloxan-2-yl)pyrazole?
1-methyl-5-(4-methyloxan-2-yl)pyrazole has a molecular weight of 180.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-methyloxan-2-yl)pyrazole is sourced from PubChem (CID 174052764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).