N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C19H24N4O3 — CID 91838187

IUPACN-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C19H24N4O3/c1-2-22(10-6-9-14-7-4-3-5-8-14)19(26)16-11-17-18(25)20-12-15(24)13-23(17)21-16/h3-5,7-8,11,15,24H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyYILDSXVRNSMTRU-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.08
Rot. Bonds6

About N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 91838187) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID91838187
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCN(CCCc1ccccc1)C(=O)c1cc2n(n1)CC(O)CNC2=O
InChIInChI=1S/C19H24N4O3/c1-2-22(10-6-9-14-7-4-3-5-8-14)19(26)16-11-17-18(25)20-12-15(24)13-23(17)21-16/h3-5,7-8,11,15,24H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyYILDSXVRNSMTRU-UHFFFAOYSA-N
XLogP1.08
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide with MolForge

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Related Compounds

(7S)-N-ethyl-7-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126447682
(7S)-N-[3-(3-chlorophenoxy)propyl]-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 126444870
N-(1-benzothiophen-2-ylmethyl)-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135114669
(7S)-N-[3-(2,4-dimethylphenoxy)propyl]-7-hydroxy-N-methyl-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124842287
N-[(3-chloro-4-fluorophenyl)methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 135115943
N,N-diethyl-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336165
(7S)-N-[[5-(3-chlorophenyl)furan-2-yl]methyl]-7-hydroxy-4-oxo-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 124756534
1,3-diethyl-1-(4-phenylbutyl)urea
CID 138979891
N-ethyl-4-(1-methylimidazol-2-yl)-N-(3-phenylpropyl)benzamide
CID 119072670
N-ethyl-6-oxo-N-(2-phenylethyl)-1H-pyridine-2-carboxamide
CID 107261843
(2S,3R,4S,5R,6R)-N-ethyl-3,4,5-trihydroxy-6-(hydroxymethyl)-N-(3-phenylpropyl)piperidine-2-carboxamide
CID 90044322
N,N-diethyl-5-[[methyl(2-phenylethyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 56758073

Frequently Asked Questions

What is the IUPAC name of N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 91838187) is N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCN(CCCc1ccccc1)C(=O)c1cc2n(n1)CC(O)CNC2=O.
What is the InChIKey of N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is YILDSXVRNSMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-22(10-6-9-14-7-4-3-5-8-14)19(26)16-11-17-18(25)20-12-15(24)13-23(17)21-16/h3-5,7-8,11,15,24H,2,6,9-10,12-13H2,1H3,(H,20,25).
What are the key properties of N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-7-hydroxy-4-oxo-N-(3-phenylpropyl)-5,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 91838187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).