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

C20H26N4O3 — CID 53186352

IUPACethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(CC)cc3)cc2C1
InChIInChI=1S/C20H26N4O3/c1-3-15-6-8-16(9-7-15)18-12-17-14-23(10-5-11-24(17)22-18)20(26)21-13-19(25)27-4-2/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyFHYAEJAMHWBGRM-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.59
Rot. Bonds5

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

ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate (PubChem CID 53186352) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
PubChem CID53186352
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Nameethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(CC)cc3)cc2C1
InChIInChI=1S/C20H26N4O3/c1-3-15-6-8-16(9-7-15)18-12-17-14-23(10-5-11-24(17)22-18)20(26)21-13-19(25)27-4-2/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,26)
InChIKeyFHYAEJAMHWBGRM-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 2-[3-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetate
CID 164628567
5-(ethoxyacetyl)-2-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine
CID 53186282
2-methoxy-1-[2-phenyl-7,8-dihydro-4H-pyrazolo[1,5-a][1,4]diazepin-5(6H)-yl]-1-ethanone
CID 53014798
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
2-(4-Ethylphenyl)-N-(2-methoxyethyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carboxamide
CID 53186353
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
Ethyl 2-{[2-(3,4-dimethylphenyl)-4H,5H,6H,7H,8H-pyrazolo[1,5-A][1,4]diazepine-5-carbonyl]amino}acetate
CID 53186358
N'-({5-[(2E)-3-(4-fluorophenyl)prop-2-en-1-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepin-2-yl}methyl)-N,N-dimethylurea
CID 70788935
ethyl N-{[1-(2-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-4-yl]carbamoyl}glycinate
CID 17183458

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate (CID 53186352) is ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate is CCOC(=O)CNC(=O)N1CCCn2nc(-c3ccc(CC)cc3)cc2C1.
What is the InChIKey of ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
The InChIKey is FHYAEJAMHWBGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-3-15-6-8-16(9-7-15)18-12-17-14-23(10-5-11-24(17)22-18)20(26)21-13-19(25)27-4-2/h6-9,12H,3-5,10-11,13-14H2,1-2H3,(H,21,26).
What are the key properties of ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate?
ethyl 2-[[2-(4-ethylphenyl)-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 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(4-ethylphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5-carbonyl]amino]acetate is sourced from PubChem (CID 53186352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).