5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide

C19H25N5O2 — CID 50964296

IUPAC5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)21-18(26)23-10-7-11-24-15(13-23)12-16(22-24)17(25)20-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDUOZBCSBQYPJRN-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.85
Rot. Bonds2

About 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide

5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide (PubChem CID 50964296) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
PubChem CID50964296
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide
SMILESCC(C)(C)NC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1
InChIInChI=1S/C19H25N5O2/c1-19(2,3)21-18(26)23-10-7-11-24-15(13-23)12-16(22-24)17(25)20-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,20,25)(H,21,26)
InChIKeyDUOZBCSBQYPJRN-UHFFFAOYSA-N
XLogP2.85
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-phenyl-5-(1H-pyrrole-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50978426
5-[(2S)-oxane-2-carbonyl]-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 95127788
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
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-1,2,4-triazole-5-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50967347
5-(5-oxopyrrolidine-2-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 56720802
N-phenyl-5-[(2S)-1-pyrazin-2-ylpropan-2-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95120037
5-acetyl-N-[(2S)-2-hydroxy-2-phenylethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95200031
5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50951412
1-[[5-(cyclobutanecarbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methyl]-3-phenylurea
CID 70741663
(3,5-dichlorophenyl)methyl 2-(propan-2-ylcarbamoyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxylate
CID 86345838
N-hydroxy-5-(3-methyl-1-benzofuran-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 58465633

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide (CID 50964296) is 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide is CC(C)(C)NC(=O)N1CCCn2nc(C(=O)Nc3ccccc3)cc2C1.
What is the InChIKey of 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide?
The InChIKey is DUOZBCSBQYPJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-19(2,3)21-18(26)23-10-7-11-24-15(13-23)12-16(22-24)17(25)20-14-8-5-4-6-9-14/h4-6,8-9,12H,7,10-11,13H2,1-3H3,(H,20,25)(H,21,26).
What are the key properties of 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide?
5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-2-N-phenyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxamide is sourced from PubChem (CID 50964296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).