methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride

C9H14ClN3O2 — CID 75465227

IUPACmethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CCNC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-12-7-5-10-4-3-6(7)8(11-12)9(13)14-2;/h10H,3-5H2,1-2H3;1H
InChIKeyKXOYDVFGHQSMOG-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.27
Rot. Bonds1

About methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride

methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 75465227) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
PubChem CID75465227
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Namemethyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)c1nn(C)c2c1CCNC2.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-12-7-5-10-4-3-6(7)8(11-12)9(13)14-2;/h10H,3-5H2,1-2H3;1H
InChIKeyKXOYDVFGHQSMOG-UHFFFAOYSA-N
XLogP0.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride (CID 75465227) is methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride is COC(=O)c1nn(C)c2c1CCNC2.Cl.
What is the InChIKey of methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is KXOYDVFGHQSMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-12-7-5-10-4-3-6(7)8(11-12)9(13)14-2;/h10H,3-5H2,1-2H3;1H.
What are the key properties of methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride?
methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 75465227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).