tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

C14H19N3O3 — CID 68931044

IUPACtert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESC=CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O
InChIInChI=1S/C14H19N3O3/c1-5-6-17-11-8-16(13(19)20-14(2,3)4)9-12(18)10(11)7-15-17/h5,7H,1,6,8-9H2,2-4H3
InChIKeyJLCKJFVOYHZIHS-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.00
Rot. Bonds2

About tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate

tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (PubChem CID 68931044) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
PubChem CID68931044
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
SMILESC=CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O
InChIInChI=1S/C14H19N3O3/c1-5-6-17-11-8-16(13(19)20-14(2,3)4)9-12(18)10(11)7-15-17/h5,7H,1,6,8-9H2,2-4H3
InChIKeyJLCKJFVOYHZIHS-UHFFFAOYSA-N
XLogP2.00
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 1-methyl-4-oxo-1H,4H,5H,6H,7H-pyrazolo(3,4-c)pyridine-6-carboxylate
CID 69346852
tert-butyl 3-formyl-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 72211567
methyl 3-(prop-2-enylcarbamoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 134790634
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
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
1-methyl-6,7-dihydro-5H-pyrazolo[5,4-c]pyridin-4-one
CID 83479540
tert-butyl (4Z)-1-methyl-4-prop-2-enoxyimino-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 87793595
Tert-butyl 1-methyl-4-prop-2-enoxyimino-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate
CID 90963623
1,1-Dimethylethyl 1-cyclopropyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 117678404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate (CID 68931044) is tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is C=CCn1ncc2c1CN(C(=O)OC(C)(C)C)CC2=O.
What is the InChIKey of tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
The InChIKey is JLCKJFVOYHZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-5-6-17-11-8-16(13(19)20-14(2,3)4)9-12(18)10(11)7-15-17/h5,7H,1,6,8-9H2,2-4H3.
What are the key properties of tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate?
tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-oxo-1-prop-2-enyl-5,7-dihydropyrazolo[5,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 68931044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).