ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate

C20H26N4O3 — CID 53186358

IUPACethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1
InChIInChI=1S/C20H26N4O3/c1-4-27-19(25)12-21-20(26)23-8-5-9-24-17(13-23)11-18(22-24)16-7-6-14(2)15(3)10-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,21,26)
InChIKeyMOPLTIKHQOJFBA-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.65
Rot. Bonds4

About ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate

ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate (PubChem CID 53186358) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
PubChem CID53186358
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1
InChIInChI=1S/C20H26N4O3/c1-4-27-19(25)12-21-20(26)23-8-5-9-24-17(13-23)11-18(22-24)16-7-6-14(2)15(3)10-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,21,26)
InChIKeyMOPLTIKHQOJFBA-UHFFFAOYSA-N
XLogP2.65
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate 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

2-Methoxy-1-[2-(4-methylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]ethan-1-one
CID 53014800
2-methoxy-1-[2-(3-methylphenyl)-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-1-ethanone
CID 53014801
Ethyl 2-{[2-(4-ethylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl]amino}acetate
CID 53186352
2-(4-Ethylphenyl)-N-(2-methoxyethyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carboxamide
CID 53186353
3-{3-[2-(3,4-Dimethylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepin-5-YL]-3-oxopropyl}-5,5-dimethylimidazolidine-2,4-dione
CID 124071855
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53186348
N-(tetrahydrofuran-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepine-5(6H)-carboxamide
CID 53186349
N-(2-methoxyethyl)-2-[4-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carboxamide
CID 53186351
[4-(2-Ethylaminomethyl-4-trifluoromethyl-phenyl)-3,5-dimethyl-pyrazol-1-yl]-acetic acid ethyl ester
CID 68615049
Ethyl 2-({2-[4-(trifluoromethyl)phenyl]-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl}amino)acetate
CID 53186347
N-{[5-(4-fluoro-3-methylbenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 70719633
N-{[5-(3-fluoro-2-methylbenzyl)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl]methyl}-2-methoxyacetamide
CID 70720516

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate (CID 53186358) is ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(C)c(C)c3)cc2C1.
What is the InChIKey of ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The InChIKey is MOPLTIKHQOJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-4-27-19(25)12-21-20(26)23-8-5-9-24-17(13-23)11-18(22-24)16-7-6-14(2)15(3)10-16/h6-7,10-11H,4-5,8-9,12-13H2,1-3H3,(H,21,26).
What are the key properties of ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate has a molecular weight of 370.45 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(3,4-dimethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate is sourced from PubChem (CID 53186358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).