tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

C12H19N3O3 — CID 69345851

IUPACtert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5,10,16H,6-7H2,1-4H3
InChIKeyIXXQPANJBVVJPA-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.20
Rot. Bonds

About tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 69345851) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID69345851
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Nametert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O
InChIInChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5,10,16H,6-7H2,1-4H3
InChIKeyIXXQPANJBVVJPA-UHFFFAOYSA-N
XLogP1.20
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

n-Boc-4-(2-cyclopropyl-4-hydroxymethyl-2h-pyrazol-3-yl)-piperidine
CID 21097374
isopropyl 4-(5-cyano-4-(1-hydroxyethyl)-1H-pyrazol-1-yl)piperidine-1-carboxylate
CID 58114317
tert-butyl 2-(2-hydroxyethyl)-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 67198209
2-(5-Boc-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)ethan-1-ol
CID 67198764
4-[5-Cyano-4-(1-hydroxyethyl)pyrazol-1-yl]piperidine-1-carboxylic acid
CID 67481976
Tert-butyl 4-hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68927757
4-Hydroxy-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69149106
4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69374770
tert-Butyl 1-methyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 71711049
1-Methyl-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-4-ol
CID 83670848
tert-butyl 4-(aminooxy)-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 86694002
tert-butyl 4-hydroxy-1-[2-[(Z)-prop-1-enyl]sulfonylethyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
CID 87627206

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (CID 69345851) is tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is Cn1ncc2c1CN(C(=O)OC(C)(C)C)CC2O.
What is the InChIKey of tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is IXXQPANJBVVJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5,10,16H,6-7H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.20, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 69345851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).