5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

C18H19N5O3 — CID 56720802

IUPAC5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)N1
InChIInChI=1S/C18H19N5O3/c24-16-7-6-14(20-16)18(26)22-8-9-23-13(11-22)10-15(21-23)17(25)19-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,19,25)(H,20,24)
InChIKeyAONYBXKXTHOCGZ-UHFFFAOYSA-N
MW353.38 g/mol
LogP0.76
Rot. Bonds3

About 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide

5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (PubChem CID 56720802) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
PubChem CID56720802
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC Name5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
SMILESO=C1CCC(C(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)N1
InChIInChI=1S/C18H19N5O3/c24-16-7-6-14(20-16)18(26)22-8-9-23-13(11-22)10-15(21-23)17(25)19-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,19,25)(H,20,24)
InChIKeyAONYBXKXTHOCGZ-UHFFFAOYSA-N
XLogP0.76
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95127788
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50951412
N-phenyl-5-(1H-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50967347
N-phenyl-5-(5-propan-2-yl-1H-pyrazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50958777
N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
N-phenyl-5-[(2R)-2-(1,2,4-triazol-1-yl)propanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95204473
methyl 5-[(2R,5R)-5-phenylpyrrolidine-2-carbonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 155938934
5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
CID 50964296
5-[4-(2-chlorobenzoyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 14053726
6-oxo-N-phenyldiazinane-3-carboxamide
CID 78211041
7-[(2R)-5-oxopyrrolidine-2-carbonyl]-2-phenyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135990837
6-[(5-oxopyrrolidine-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 55248158

Frequently Asked Questions

What is the IUPAC name of 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The IUPAC name of 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide (CID 56720802) is 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide.
What is the SMILES notation for 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The canonical SMILES for 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is O=C1CCC(C(=O)N2CCn3nc(C(=O)Nc4ccccc4)cc3C2)N1.
What is the InChIKey of 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
The InChIKey is AONYBXKXTHOCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O3/c24-16-7-6-14(20-16)18(26)22-8-9-23-13(11-22)10-15(21-23)17(25)19-12-4-2-1-3-5-12/h1-5,10,14H,6-9,11H2,(H,19,25)(H,20,24).
What are the key properties of 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide?
5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide is sourced from PubChem (CID 56720802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).