7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

C17H17N5O4 — CID 167752083

IUPAC7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2cc(C(=O)N3CCC(c4cc(=O)[nH][nH]4)C3)ccc2N1
InChIInChI=1S/C17H17N5O4/c23-14-6-13(20-21-14)10-3-4-22(8-10)17(26)9-1-2-12-11(5-9)16(25)18-7-15(24)19-12/h1-2,5-6,10H,3-4,7-8H2,(H,18,25)(H,19,24)(H2,20,21,23)
InChIKeyCPWJNRXBCRLENX-UHFFFAOYSA-N
MW355.35 g/mol
LogP0.01
Rot. Bonds2

About 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (PubChem CID 167752083) has the molecular formula C17H17N5O4 and a molecular weight of 355.35 g/mol. Its IUPAC name is 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.

Molecular Properties

Compound Name7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
PubChem CID167752083
Molecular FormulaC17H17N5O4
Molecular Weight355.35 g/mol
Exact Mass355.13
IUPAC Name7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
SMILESO=C1CNC(=O)c2cc(C(=O)N3CCC(c4cc(=O)[nH][nH]4)C3)ccc2N1
InChIInChI=1S/C17H17N5O4/c23-14-6-13(20-21-14)10-3-4-22(8-10)17(26)9-1-2-12-11(5-9)16(25)18-7-15(24)19-12/h1-2,5-6,10H,3-4,7-8H2,(H,18,25)(H,19,24)(H2,20,21,23)
InChIKeyCPWJNRXBCRLENX-UHFFFAOYSA-N
XLogP0.01
TPSA127.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 50.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

7-(10-oxo-3,9-diazabicyclo[3.3.2]decane-3-carbonyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
CID 167781160
5-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-1H-pyrrole-2-carboxamide
CID 166394355
5-[1-[3-(3-hydroxyprop-1-ynyl)benzoyl]pyrrolidin-3-yl]-1,2-dihydropyrazol-3-one
CID 166254949
7-[(1S,5S)-6-(cyclobutylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 133127681
6-(3-aminopyrrolidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103806132
2H-benzotriazol-5-yl-[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 125001721
7-[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl]-3,4-dihydro-1H-quinoxalin-2-one
CID 97132204
5-[4-(aminomethyl)piperidine-1-carbonyl]-1,3-dihydroindol-2-one
CID 102711455
6-(3-hydroxypiperidine-1-carbonyl)-3,4-dihydro-1H-quinolin-2-one
CID 103605924
[(3R)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 95841606
2-(3-phenylpyrrolidine-1-carbonyl)anthracene-9,10-dione
CID 16764902
5-[4-(methylamino)piperidine-1-carbonyl]-2,3-dihydroisoindol-1-one
CID 90382707

Frequently Asked Questions

What is the IUPAC name of 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The IUPAC name of 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione (CID 167752083) is 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione.
What is the SMILES notation for 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The canonical SMILES for 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is O=C1CNC(=O)c2cc(C(=O)N3CCC(c4cc(=O)[nH][nH]4)C3)ccc2N1.
What is the InChIKey of 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
The InChIKey is CPWJNRXBCRLENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4/c23-14-6-13(20-21-14)10-3-4-22(8-10)17(26)9-1-2-12-11(5-9)16(25)18-7-15(24)19-12/h1-2,5-6,10H,3-4,7-8H2,(H,18,25)(H,19,24)(H2,20,21,23).
What are the key properties of 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione?
7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione has a molecular weight of 355.35 g/mol, XLogP of 0.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(5-oxo-1,2-dihydropyrazol-3-yl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione is sourced from PubChem (CID 167752083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).