5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one

C21H20N2O2 — CID 11724326

IUPAC5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCc1cnn(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C21H20N2O2/c1-16-13-22-23(14-16)15-19-12-21(20(24)25-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19H,12,15H2,1H3
InChIKeyCTBCIFCDPSJWAI-UHFFFAOYSA-N
MW332.40 g/mol
LogP3.49
Rot. Bonds4

About 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one

5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (PubChem CID 11724326) has the molecular formula C21H20N2O2 and a molecular weight of 332.40 g/mol. Its IUPAC name is 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.

Molecular Properties

Compound Name5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
PubChem CID11724326
Molecular FormulaC21H20N2O2
Molecular Weight332.40 g/mol
Exact Mass332.15
IUPAC Name5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
SMILESCc1cnn(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1
InChIInChI=1S/C21H20N2O2/c1-16-13-22-23(14-16)15-19-12-21(20(24)25-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19H,12,15H2,1H3
InChIKeyCTBCIFCDPSJWAI-UHFFFAOYSA-N
XLogP3.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Diphenyl-5-(pyrazol-1-ylmethyl)oxolan-2-one
CID 9905077
5-[(3-Methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
CID 10359418
5-[(2,3-Dimethylpyrazol-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10091339
5-[(2,4-Dimethylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10339897
5-[(1-Ethylpyrazol-2-ium-2-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10362511
5-[(2-Methylpyrazol-2-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10406759
5-[(2-Ethyl-4-methylpyrazol-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10408473
5-[(2-Ethyl-3-methylpyrazol-1-ium-1-yl)methyl]-3,3-diphenyloxolan-2-one chloride
CID 10430889
ethyl 1-[(1-methyl-1H-pyrazol-4-yl)methyl]-4-(3-phenylpropyl)-4-piperidinecarboxylate
CID 16187284
ethyl 3-benzyl-1-[3-(1H-pyrazol-1-yl)propyl]piperidine-3-carboxylate
CID 16187638
ethyl 3-benzyl-1-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3-piperidinecarboxylate
CID 16188448
ethyl 4-benzyl-1-[(1-isopropyl-1H-pyrazol-4-yl)methyl]-4-piperidinecarboxylate
CID 16190622

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The IUPAC name of 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one (CID 11724326) is 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one.
What is the SMILES notation for 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The canonical SMILES for 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is Cc1cnn(CC2CC(c3ccccc3)(c3ccccc3)C(=O)O2)c1.
What is the InChIKey of 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
The InChIKey is CTBCIFCDPSJWAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2/c1-16-13-22-23(14-16)15-19-12-21(20(24)25-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,13-14,19H,12,15H2,1H3.
What are the key properties of 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one?
5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one has a molecular weight of 332.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpyrazol-1-yl)methyl]-3,3-diphenyloxolan-2-one is sourced from PubChem (CID 11724326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).