ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride

C9H14ClN3O2 — CID 122412741

IUPACethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-5-7-6-10-3-4-12(7)11-8;/h5,10H,2-4,6H2,1H3;1H
InChIKeyXXERQWIILPIHBC-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.58
Rot. Bonds2

About ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride

ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (PubChem CID 122412741) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
PubChem CID122412741
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Nameethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCCOC(=O)c1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-5-7-6-10-3-4-12(7)11-8;/h5,10H,2-4,6H2,1H3;1H
InChIKeyXXERQWIILPIHBC-UHFFFAOYSA-N
XLogP0.58
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (CID 122412741) is ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is CCOC(=O)c1cc2n(n1)CCNC2.Cl.
What is the InChIKey of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is XXERQWIILPIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)8-5-7-6-10-3-4-12(7)11-8;/h5,10H,2-4,6H2,1H3;1H.
What are the key properties of ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 122412741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).