ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

C12H17N3O2 — CID 119103039

IUPACethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCCOC(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)14-5-6-15-10(8-14)7-11(13-15)9-3-4-9/h7,9H,2-6,8H2,1H3
InChIKeyXNGMMRMKMCXYPD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.73
Rot. Bonds2

About ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate

ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (PubChem CID 119103039) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
PubChem CID119103039
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Nameethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
SMILESCCOC(=O)N1CCn2nc(C3CC3)cc2C1
InChIInChI=1S/C12H17N3O2/c1-2-17-12(16)14-5-6-15-10(8-14)7-11(13-15)9-3-4-9/h7,9H,2-6,8H2,1H3
InChIKeyXNGMMRMKMCXYPD-UHFFFAOYSA-N
XLogP1.73
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US10030012, Example 79
CID 78318386
tert-butyl 2-(aminomethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 129415673
ethyl (2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)carbamate
CID 71807721
ethyl ((5-cyclopropyl-1-methyl-1H-pyrazol-3-yl)methyl)carbamate
CID 71808536
tert-butyl (1R,5S)-6-(3-iodo-1-propan-2-ylpyrazol-5-yl)-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 90292731
(2-cyclopropyl-6,7-dihydropyrazolo[1,5-a]pyrazin-5(4H)-yl)(morpholino)methanone
CID 119103066
Methyl 2-methyl-4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxylate
CID 134331624
1-(2-butan-2-yl-4-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 169134733
2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
CID 169135357
1-(2-tert-butyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 176702931
1-(4,6-dimethyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-fluoroprop-2-en-1-one
CID 176702997
2-fluoro-1-(4-methyl-2-propan-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)prop-2-en-1-one
CID 178682145

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The IUPAC name of ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate (CID 119103039) is ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate.
What is the SMILES notation for ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The canonical SMILES for ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is CCOC(=O)N1CCn2nc(C3CC3)cc2C1.
What is the InChIKey of ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
The InChIKey is XNGMMRMKMCXYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-2-17-12(16)14-5-6-15-10(8-14)7-11(13-15)9-3-4-9/h7,9H,2-6,8H2,1H3.
What are the key properties of ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate?
ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate has a molecular weight of 235.29 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopropyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate is sourced from PubChem (CID 119103039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).