(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone

C15H16N2O2 — CID 107331838

IUPAC(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCC1CC(C(=O)c2ccnn2-c2ccccc2)CO1
InChIInChI=1S/C15H16N2O2/c1-11-9-12(10-19-11)15(18)14-7-8-16-17(14)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyQVBARNBNTJQRGE-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.48
Rot. Bonds3

About (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone

(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone (PubChem CID 107331838) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone
PubChem CID107331838
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone
SMILESCC1CC(C(=O)c2ccnn2-c2ccccc2)CO1
InChIInChI=1S/C15H16N2O2/c1-11-9-12(10-19-11)15(18)14-7-8-16-17(14)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3
InChIKeyQVBARNBNTJQRGE-UHFFFAOYSA-N
XLogP2.48
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone?
The IUPAC name of (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone (CID 107331838) is (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone.
What is the SMILES notation for (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone?
The canonical SMILES for (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone is CC1CC(C(=O)c2ccnn2-c2ccccc2)CO1.
What is the InChIKey of (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone?
The InChIKey is QVBARNBNTJQRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11-9-12(10-19-11)15(18)14-7-8-16-17(14)13-5-3-2-4-6-13/h2-8,11-12H,9-10H2,1H3.
What are the key properties of (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone?
(5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyloxolan-3-yl)-(2-phenylpyrazol-3-yl)methanone is sourced from PubChem (CID 107331838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).