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

C13H19N3O2 — CID 176717659

IUPACethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C1CCC1)C2
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)12-8-11-9-15(10-4-3-5-10)6-7-16(11)14-12/h8,10H,2-7,9H2,1H3
InChIKeyBRFJULDUFLTLIZ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds3

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

ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (PubChem CID 176717659) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
PubChem CID176717659
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Nameethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate
SMILESCCOC(=O)c1cc2n(n1)CCN(C1CCC1)C2
InChIInChI=1S/C13H19N3O2/c1-2-18-13(17)12-8-11-9-15(10-4-3-5-10)6-7-16(11)14-12/h8,10H,2-7,9H2,1H3
InChIKeyBRFJULDUFLTLIZ-UHFFFAOYSA-N
XLogP1.43
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-O-tert-butyl 2-O-ethyl 4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2,5-dicarboxylate
CID 124518597
diethyl 1-cyclopentylpyrazole-3,5-dicarboxylate
CID 125461582
ethyl prop-2-ynoate;ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate
CID 158291247
ethyl 2-cyclobutyltriazole-4-carboxylate
CID 129164713
ethane;ethyl 5-bromo-1-cyclopentylpyrazole-3-carboxylate
CID 145329445
butane;ethane;ethyl 1-cyclohexyl-5-ethylpyrazole-3-carboxylate
CID 143116712
ethyl 5-(cyclopropylmethyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 58465837
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 135741928
ethyl 5-(6-methyl-2-nitrocyclohexa-2,4-dien-1-yl)sulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 177198914
ethyl 7-hydroxy-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine-2-carboxylate;hydrochloride
CID 118798514
N-[(5-cyclohexyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(tetrazol-1-yl)acetamide
CID 72908965
ethyl 5-(5-pyridin-2-ylthiophene-2-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxylate
CID 58465597

Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The IUPAC name of ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate (CID 176717659) is ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate.
What is the SMILES notation for ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The canonical SMILES for ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is CCOC(=O)c1cc2n(n1)CCN(C1CCC1)C2.
What is the InChIKey of ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
The InChIKey is BRFJULDUFLTLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-18-13(17)12-8-11-9-15(10-4-3-5-10)6-7-16(11)14-12/h8,10H,2-7,9H2,1H3.
What are the key properties of ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate?
ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate is sourced from PubChem (CID 176717659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).