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

C9H14ClN3O2 — CID 119099129

IUPACmethyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCCC2N.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-14-9(13)7-5-8-6(10)3-2-4-12(8)11-7;/h5-6H,2-4,10H2,1H3;1H
InChIKeyCWNGGIRNXQABNX-UHFFFAOYSA-N
MW231.68 g/mol
LogP0.89
Rot. Bonds1

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

methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride (PubChem CID 119099129) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
PubChem CID119099129
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Namemethyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc2n(n1)CCCC2N.Cl
InChIInChI=1S/C9H13N3O2.ClH/c1-14-9(13)7-5-8-6(10)3-2-4-12(8)11-7;/h5-6H,2-4,10H2,1H3;1H
InChIKeyCWNGGIRNXQABNX-UHFFFAOYSA-N
XLogP0.89
TPSA70.14 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 ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride (CID 119099129) is methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride is COC(=O)c1cc2n(n1)CCCC2N.Cl.
What is the InChIKey of methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride?
The InChIKey is CWNGGIRNXQABNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2.ClH/c1-14-9(13)7-5-8-6(10)3-2-4-12(8)11-7;/h5-6H,2-4,10H2,1H3;1H.
What are the key properties of methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride?
methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride has a molecular weight of 231.68 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxylate;hydrochloride is sourced from PubChem (CID 119099129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).