5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

C22H23ClN2O2 — CID 19988932

IUPAC5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCc1cc(C)n(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-16-13-17(2)24(23-16)15-20-14-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-13,20H,14-15H2,1-2H3;1H
InChIKeyXGORVQGEXYJFRH-UHFFFAOYSA-N
MW382.89 g/mol
LogP4.22
Rot. Bonds4

About 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride

5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (PubChem CID 19988932) has the molecular formula C22H23ClN2O2 and a molecular weight of 382.89 g/mol. Its IUPAC name is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.

Molecular Properties

Compound Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
PubChem CID19988932
Molecular FormulaC22H23ClN2O2
Molecular Weight382.89 g/mol
Exact Mass382.14
IUPAC Name5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride
SMILESCc1cc(C)n(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1.Cl
InChIInChI=1S/C22H22N2O2.ClH/c1-16-13-17(2)24(23-16)15-20-14-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-13,20H,14-15H2,1-2H3;1H
InChIKeyXGORVQGEXYJFRH-UHFFFAOYSA-N
XLogP4.22
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The IUPAC name of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride (CID 19988932) is 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride.
What is the SMILES notation for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The canonical SMILES for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is Cc1cc(C)n(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)n1.Cl.
What is the InChIKey of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
The InChIKey is XGORVQGEXYJFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2.ClH/c1-16-13-17(2)24(23-16)15-20-14-22(21(25)26-20,18-9-5-3-6-10-18)19-11-7-4-8-12-19;/h3-13,20H,14-15H2,1-2H3;1H.
What are the key properties of 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride?
5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride has a molecular weight of 382.89 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,5-dimethylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one;hydrochloride is sourced from PubChem (CID 19988932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).