tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

C12H17N3O3 — CID 69346852

IUPACtert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5H,6-7H2,1-4H3
InChIKeySDDNHCVVOSYLCT-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.35
Rot. Bonds

About tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 69346852) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID69346852
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Nametert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O
InChIInChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5H,6-7H2,1-4H3
InChIKeySDDNHCVVOSYLCT-UHFFFAOYSA-N
XLogP1.35
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 72211567
tert-butyl 4-[2-(4-oxo-6,7-dihydro-5H-indazol-2-yl)acetyl]piperazine-1-carboxylate
CID 166625789
tert-butyl 4-[2-(4-oxo-6,7-dihydro-5H-indazol-1-yl)acetyl]piperazine-1-carboxylate
CID 166626546
tert-butyl (3R)-4-(1,5-dimethylpyrazole-4-carbonyl)-3-methylpiperazine-1-carboxylate
CID 86781478
tert-butyl N-[2-[5-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-2-oxoethyl]carbamate
CID 156688938
tert-butyl 3-(3,3-difluoropyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 156773141
tert-butyl (6S)-6-methyl-3-[(3S)-4,4,4-trifluoro-3-methylbutanoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 157585885
1-Ethyl-6-methyl-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
CID 59319507
Tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 68931044
4-Oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69150421
1-Methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylic acid
CID 69375030
tert-Butyl 1-methyl-4,5-dihydro-1H-pyrazolo[3,4-c]pyridine-6(7H)-carboxylate
CID 71711049

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 69346852) is tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is Cn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O.
What is the InChIKey of tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is SDDNHCVVOSYLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,3)18-11(17)15-6-9-8(10(16)7-15)5-13-14(9)4/h5H,6-7H2,1-4H3.
What are the key properties of tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-methyl-4-oxo-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 69346852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).