1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

C17H21N5O2 — CID 71862647

IUPAC1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCCN(C(=O)Nc1cnn(C)c1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H21N5O2/c1-3-21(17(24)19-13-11-18-20(2)12-13)15-9-10-22(16(15)23)14-7-5-4-6-8-14/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,19,24)
InChIKeyHQUNPQFCEJLRHY-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.08
Rot. Bonds4

About 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea

1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (PubChem CID 71862647) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.

Molecular Properties

Compound Name1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
PubChem CID71862647
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea
SMILESCCN(C(=O)Nc1cnn(C)c1)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C17H21N5O2/c1-3-21(17(24)19-13-11-18-20(2)12-13)15-9-10-22(16(15)23)14-7-5-4-6-8-14/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,19,24)
InChIKeyHQUNPQFCEJLRHY-UHFFFAOYSA-N
XLogP2.08
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-methyl-1-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-pyridin-4-ylurea
CID 95980251
4-amino-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)pentanamide;hydrochloride
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4-[ethyl-(2-oxo-1-phenylpyrrolidin-3-yl)carbamoyl]pyridine-2-carboxylic acid
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3-(benzimidazol-1-yl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 126767257
3-(2-aminophenyl)-N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
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CID 95315176
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
5-amino-N-ethyl-2-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 120632566
N-ethyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The IUPAC name of 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea (CID 71862647) is 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea.
What is the SMILES notation for 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The canonical SMILES for 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is CCN(C(=O)Nc1cnn(C)c1)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
The InChIKey is HQUNPQFCEJLRHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-3-21(17(24)19-13-11-18-20(2)12-13)15-9-10-22(16(15)23)14-7-5-4-6-8-14/h4-8,11-12,15H,3,9-10H2,1-2H3,(H,19,24).
What are the key properties of 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea?
1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea has a molecular weight of 327.39 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(1-methylpyrazol-4-yl)-1-(2-oxo-1-phenylpyrrolidin-3-yl)urea is sourced from PubChem (CID 71862647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).