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

C12H19N3O2 — CID 71711049

IUPACtert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-9-7-13-14(4)10(9)8-15/h7H,5-6,8H2,1-4H3
InChIKeyJHTDCUMBOUSELE-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.71
Rot. Bonds

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

tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 71711049) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID71711049
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Nametert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2
InChIInChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-9-7-13-14(4)10(9)8-15/h7H,5-6,8H2,1-4H3
InChIKeyJHTDCUMBOUSELE-UHFFFAOYSA-N
XLogP1.71
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-Dimethylethyl 1,4,5,7-tetrahydro-6H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 57345832
5-Boc-4,5,6,7-tetrahydro-pyrazolo[1,5-A]pyrazine
CID 58440750
tert-butyl 1-methyl-4-oxo-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 69346852
3-Bromo-6,7-dihydro-4H-pyrazolo(1,5-a)pyrazine-5-carboxylic acid tert-butyl ester
CID 72212688
tert-butyl 3-(tetramethyl-1,3,2-dioxaborolan-2-yl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 72212689
tert-butyl 3-iodo-6-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 121483850
tert-butyl 3-iodo-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 121484015
tert-butyl 2-(aminomethyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 129415673
tert-butyl 3-ethynyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 137951520
tert-butyl 3-(aminomethyl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 71305923
tert-butyl 3-iodo-2-methyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 132354122
tert-butyl 3-((methylamino)methyl)-4H,5H,6H,7H-pyrazolo(1,5-a)pyrazine-5-carboxylate
CID 132398472

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate (CID 71711049) is tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is Cn1ncc2c1CN(C(=O)OC(C)(C)C)CC2.
What is the InChIKey of tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is JHTDCUMBOUSELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,3)17-11(16)15-6-5-9-7-13-14(4)10(9)8-15/h7H,5-6,8H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 237.30 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 71711049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).