N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

C29H35N5O3 — CID 46049754

IUPACN-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O
InChIInChI=1S/C29H35N5O3/c1-4-32(17-14-27(35)31(3)20-23-11-6-5-7-12-23)28(36)25-19-26-29(37)33(15-9-16-34(26)30-25)21-24-13-8-10-22(2)18-24/h5-8,10-13,18-19H,4,9,14-17,20-21H2,1-3H3
InChIKeyNLUSCEVNZSSVQT-UHFFFAOYSA-N
MW501.63 g/mol
LogP3.75
Rot. Bonds9

About N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide

N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (PubChem CID 46049754) has the molecular formula C29H35N5O3 and a molecular weight of 501.63 g/mol. Its IUPAC name is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
PubChem CID46049754
Molecular FormulaC29H35N5O3
Molecular Weight501.63 g/mol
Exact Mass501.27
IUPAC NameN-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
SMILESCCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O
InChIInChI=1S/C29H35N5O3/c1-4-32(17-14-27(35)31(3)20-23-11-6-5-7-12-23)28(36)25-19-26-29(37)33(15-9-16-34(26)30-25)21-24-13-8-10-22(2)18-24/h5-8,10-13,18-19H,4,9,14-17,20-21H2,1-3H3
InChIKeyNLUSCEVNZSSVQT-UHFFFAOYSA-N
XLogP3.75
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.63
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide 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-ethyl-N-[3-(4-methoxyanilino)-3-oxopropyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46050024
N,5-dibenzyl-N-methyl-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46078708
5-benzyl-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049596
N-butyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034583
N-benzyl-N-[2-(dimethylamino)ethyl]-5-[(3-fluorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 46077290
N-[2-(benzylamino)-2-oxoethyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 42855107
N-[3-(butan-2-ylamino)-3-oxopropyl]-N-ethyl-5-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049976
5-[(3-methylphenyl)methyl]-N-[(4-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034560
5-benzyl-N-[3-(ethylamino)-3-oxopropyl]-N-(2-methoxyethyl)-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 46049936
N-[2-[cyclohexyl(methyl)amino]ethyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53086394
N-[(2-methylphenyl)methyl]-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 53034591
N-benzyl-N-methyl-2-[4-[(3-methylphenyl)methyl]-2,3-dioxopiperazin-1-yl]acetamide
CID 53063930

Frequently Asked Questions

What is the IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The IUPAC name of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide (CID 46049754) is N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide.
What is the SMILES notation for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The canonical SMILES for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is CCN(CCC(=O)N(C)Cc1ccccc1)C(=O)c1cc2n(n1)CCCN(Cc1cccc(C)c1)C2=O.
What is the InChIKey of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
The InChIKey is NLUSCEVNZSSVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N5O3/c1-4-32(17-14-27(35)31(3)20-23-11-6-5-7-12-23)28(36)25-19-26-29(37)33(15-9-16-34(26)30-25)21-24-13-8-10-22(2)18-24/h5-8,10-13,18-19H,4,9,14-17,20-21H2,1-3H3.
What are the key properties of N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide?
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide has a molecular weight of 501.63 g/mol, XLogP of 3.75, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[benzyl(methyl)amino]-3-oxopropyl]-N-ethyl-5-[(3-methylphenyl)methyl]-4-oxo-7,8-dihydro-6H-pyrazolo[1,5-a][1,4]diazepine-2-carboxamide is sourced from PubChem (CID 46049754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).