ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride

C10H16ClN3O2 — CID 155970394

IUPACethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2c1C(C)NCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)8-6-12-13-5-4-11-7(2)9(8)13;/h6-7,11H,3-5H2,1-2H3;1H
InChIKeyYUUZUSLGFZRIJB-UHFFFAOYSA-N
MW245.71 g/mol
LogP1.15
Rot. Bonds2

About ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride

ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride (PubChem CID 155970394) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride
PubChem CID155970394
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Nameethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1cnn2c1C(C)NCC2.Cl
InChIInChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)8-6-12-13-5-4-11-7(2)9(8)13;/h6-7,11H,3-5H2,1-2H3;1H
InChIKeyYUUZUSLGFZRIJB-UHFFFAOYSA-N
XLogP1.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride (CID 155970394) is ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride is CCOC(=O)c1cnn2c1C(C)NCC2.Cl.
What is the InChIKey of ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride?
The InChIKey is YUUZUSLGFZRIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2.ClH/c1-3-15-10(14)8-6-12-13-5-4-11-7(2)9(8)13;/h6-7,11H,3-5H2,1-2H3;1H.
What are the key properties of ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride?
ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride has a molecular weight of 245.71 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155970394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).