5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

C18H23N5O3 — CID 43066120

IUPAC5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCCCN2CCCC2=O)=NN1c1ccccc1
InChIInChI=1S/C18H23N5O3/c19-17(25)15-12-14(21-23(15)13-6-2-1-3-7-13)18(26)20-9-5-11-22-10-4-8-16(22)24/h1-3,6-7,15H,4-5,8-12H2,(H2,19,25)(H,20,26)
InChIKeyGNTLVBNNPGULPQ-UHFFFAOYSA-N
MW357.41 g/mol
LogP0.24
Rot. Bonds7

About 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide

5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (PubChem CID 43066120) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
PubChem CID43066120
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
SMILESNC(=O)C1CC(C(=O)NCCCN2CCCC2=O)=NN1c1ccccc1
InChIInChI=1S/C18H23N5O3/c19-17(25)15-12-14(21-23(15)13-6-2-1-3-7-13)18(26)20-9-5-11-22-10-4-8-16(22)24/h1-3,6-7,15H,4-5,8-12H2,(H2,19,25)(H,20,26)
InChIKeyGNTLVBNNPGULPQ-UHFFFAOYSA-N
XLogP0.24
TPSA108.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3S)-5-N-[3-[[(2R)-butan-2-yl]amino]-3-oxopropyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 52509242
(3R)-2-phenyl-5-N-(2-thiophen-3-ylethyl)-3,4-dihydropyrazole-3,5-dicarboxamide
CID 51938051
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-phenylbenzamide
CID 4787941
(3S)-5-N-[[(2R)-1,4-dioxan-2-yl]methyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 94562873
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
N-[3-(2-oxopyrrolidin-1-yl)propyl]-N'-phenyloxamide
CID 7541598
5-N-(4-methylsulfonylphenyl)-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide
CID 55561159
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(4-phenylphenyl)acetamide
CID 27258939
3-cyclopropyl-N-[3-(2-oxoazepan-1-yl)propyl]-1-phenylpyrazole-5-carboxamide
CID 46537628
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
prop-2-enyl (3S)-3-carbamoyl-2-phenyl-3,4-dihydropyrazole-5-carboxylate
CID 94026024

Frequently Asked Questions

What is the IUPAC name of 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The IUPAC name of 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide (CID 43066120) is 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide.
What is the SMILES notation for 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The canonical SMILES for 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is NC(=O)C1CC(C(=O)NCCCN2CCCC2=O)=NN1c1ccccc1.
What is the InChIKey of 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
The InChIKey is GNTLVBNNPGULPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c19-17(25)15-12-14(21-23(15)13-6-2-1-3-7-13)18(26)20-9-5-11-22-10-4-8-16(22)24/h1-3,6-7,15H,4-5,8-12H2,(H2,19,25)(H,20,26).
What are the key properties of 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide?
5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-phenyl-3,4-dihydropyrazole-3,5-dicarboxamide is sourced from PubChem (CID 43066120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).