ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate

C10H15N3O2 — CID 124708283

IUPACethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate
SMILESCCOC(=O)[C@@H]1CNCc2ccnn2C1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-3-4-12-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyDJAPDPRZECTJFE-MRVPVSSYSA-N
MW209.25 g/mol
LogP0.17
Rot. Bonds2

About ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate

ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate (PubChem CID 124708283) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate.

Molecular Properties

Compound Nameethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate
PubChem CID124708283
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Nameethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate
SMILESCCOC(=O)[C@@H]1CNCc2ccnn2C1
InChIInChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-3-4-12-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3/t8-/m1/s1
InChIKeyDJAPDPRZECTJFE-MRVPVSSYSA-N
XLogP0.17
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6,7,8,9-tetrahydro-5H-imidazo[1,2-a][1,4]diazepine-6-carboxylate
CID 131439688
5-O-tert-butyl 7-O-ethyl 4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-5,7-dicarboxylate
CID 171397511
ethyl 2-(4-hydroxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
CID 136839558
ethyl 2-ethyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136838855
ethyl 2-methyl-3-phenyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136840480
diethyl (3S,5R)-piperidine-3,5-dicarboxylate
CID 66523120
ethyl 2-(2,2-dimethylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136841054
ethyl 3-bromo-2-carbamoyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136841899
ethyl 3-bromo-2-tert-butyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-6-carboxylate
CID 136839422
ethyl 7-hydroxy-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate;hydrochloride
CID 118798514
ethyl 3,5-dimethyl-4,5,7,8,12-pentazatricyclo[6.4.0.02,6]dodeca-1,3,6-triene-10-carboxylate
CID 136841316
ethyl (3R)-pyrrolidine-3-carboxylate
CID 53488454

Frequently Asked Questions

What is the IUPAC name of ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate?
The IUPAC name of ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate (CID 124708283) is ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate.
What is the SMILES notation for ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate?
The canonical SMILES for ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate is CCOC(=O)[C@@H]1CNCc2ccnn2C1.
What is the InChIKey of ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate?
The InChIKey is DJAPDPRZECTJFE-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-2-15-10(14)8-5-11-6-9-3-4-12-13(9)7-8/h3-4,8,11H,2,5-7H2,1H3/t8-/m1/s1.
What are the key properties of ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate?
ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate has a molecular weight of 209.25 g/mol, XLogP of 0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-7-carboxylate is sourced from PubChem (CID 124708283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).