(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate

C22H21N3O3 — CID 2357906

IUPAC(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N3O3/c26-20(24-13-7-8-14-24)16-28-22(27)19-15-25(18-11-5-2-6-12-18)23-21(19)17-9-3-1-4-10-17/h1-6,9-12,15H,7-8,13-14,16H2
InChIKeyKFJWRUJBMCRUJU-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.32
Rot. Bonds5

About (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate

(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate (PubChem CID 2357906) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Name(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate
PubChem CID2357906
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C22H21N3O3/c26-20(24-13-7-8-14-24)16-28-22(27)19-15-25(18-11-5-2-6-12-18)23-21(19)17-9-3-1-4-10-17/h1-6,9-12,15H,7-8,13-14,16H2
InChIKeyKFJWRUJBMCRUJU-UHFFFAOYSA-N
XLogP3.32
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate (CID 2357906) is (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate is O=C(OCC(=O)N1CCCC1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is KFJWRUJBMCRUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-20(24-13-7-8-14-24)16-28-22(27)19-15-25(18-11-5-2-6-12-18)23-21(19)17-9-3-1-4-10-17/h1-6,9-12,15H,7-8,13-14,16H2.
What are the key properties of (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate?
(2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 375.43 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-pyrrolidin-1-ylethyl) 1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 2357906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).