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

C8H12ClN3O2 — CID 127264230

IUPACmethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-4-6-5-9-2-3-11(6)10-7;/h4,9H,2-3,5H2,1H3;1H
InChIKeyCVJVUIKTSBBCTP-UHFFFAOYSA-N
MW217.66 g/mol
LogP0.19
Rot. Bonds1

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

methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (PubChem CID 127264230) has the molecular formula C8H12ClN3O2 and a molecular weight of 217.66 g/mol. Its IUPAC name is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
PubChem CID127264230
Molecular FormulaC8H12ClN3O2
Molecular Weight217.66 g/mol
Exact Mass217.06
IUPAC Namemethyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCNC2.Cl
InChIInChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-4-6-5-9-2-3-11(6)10-7;/h4,9H,2-3,5H2,1H3;1H
InChIKeyCVJVUIKTSBBCTP-UHFFFAOYSA-N
XLogP0.19
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.66
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride (CID 127264230) is methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is COC(=O)c1cc2n(n1)CCNC2.Cl.
What is the InChIKey of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
The InChIKey is CVJVUIKTSBBCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2.ClH/c1-13-8(12)7-4-6-5-9-2-3-11(6)10-7;/h4,9H,2-3,5H2,1H3;1H.
What are the key properties of methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride?
methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride has a molecular weight of 217.66 g/mol, XLogP of 0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 127264230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).