ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride

C13H22ClN3O2 — CID 177302757

IUPACethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nn(C(C)C)c2c1CNC[C@H]2C.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-5-18-13(17)11-10-7-14-6-9(4)12(10)16(15-11)8(2)3;/h8-9,14H,5-7H2,1-4H3;1H/t9-;/m1./s1
InChIKeyFNWLILYJRRDRMW-SBSPUUFOSA-N
MW287.79 g/mol
LogP2.27
Rot. Bonds3

About ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride

ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride (PubChem CID 177302757) has the molecular formula C13H22ClN3O2 and a molecular weight of 287.79 g/mol. Its IUPAC name is ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Nameethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride
PubChem CID177302757
Molecular FormulaC13H22ClN3O2
Molecular Weight287.79 g/mol
Exact Mass287.14
IUPAC Nameethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride
SMILESCCOC(=O)c1nn(C(C)C)c2c1CNC[C@H]2C.Cl
InChIInChI=1S/C13H21N3O2.ClH/c1-5-18-13(17)11-10-7-14-6-9(4)12(10)16(15-11)8(2)3;/h8-9,14H,5-7H2,1-4H3;1H/t9-;/m1./s1
InChIKeyFNWLILYJRRDRMW-SBSPUUFOSA-N
XLogP2.27
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride?
The IUPAC name of ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride (CID 177302757) is ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride?
The canonical SMILES for ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride is CCOC(=O)c1nn(C(C)C)c2c1CNC[C@H]2C.Cl.
What is the InChIKey of ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride?
The InChIKey is FNWLILYJRRDRMW-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H21N3O2.ClH/c1-5-18-13(17)11-10-7-14-6-9(4)12(10)16(15-11)8(2)3;/h8-9,14H,5-7H2,1-4H3;1H/t9-;/m1./s1.
What are the key properties of ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride?
ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride has a molecular weight of 287.79 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7R)-7-methyl-1-propan-2-yl-4,5,6,7-tetrahydropyrazolo[4,5-c]pyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 177302757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).