5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

C12H19N3O — CID 142546665

IUPAC5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESC=C(C)n1[nH]c(=O)c2c1CCN(C(C)C)C2
InChIInChI=1S/C12H19N3O/c1-8(2)14-6-5-11-10(7-14)12(16)13-15(11)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,13,16)
InChIKeyZEWLWJOGYMSMDB-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.43
Rot. Bonds2

About 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one

5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (PubChem CID 142546665) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.

Molecular Properties

Compound Name5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
PubChem CID142546665
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
SMILESC=C(C)n1[nH]c(=O)c2c1CCN(C(C)C)C2
InChIInChI=1S/C12H19N3O/c1-8(2)14-6-5-11-10(7-14)12(16)13-15(11)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,13,16)
InChIKeyZEWLWJOGYMSMDB-UHFFFAOYSA-N
XLogP1.43
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one with MolForge

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Related Compounds

5-methyl-1-(2-methylpropyl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one
CID 105463388
6-propan-2-yl-1,4,5,7-tetrahydro-[1,2]oxazolo[3,4-c]pyridin-3-one
CID 83846754
5-propan-2-yl-2,4,6,7-tetrahydropyrrolo[3,4-c]pyridine
CID 21057906
5-propan-2-yl-1,2,4,6-tetrahydropyrrolo[3,4-c]pyrazol-3-one
CID 83845987
1-methyl-6-propan-2-yl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 83917892
1-propan-2-yl-4-propan-2-ylidenepiperidine
CID 58355811
2-(2-propan-2-yl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)acetic acid;hydrochloride
CID 86767494
sodium (E)-methoxy-(4-oxo-1-propan-2-ylpiperidin-3-ylidene)methanolate
CID 23681093
5-propan-2-yl-2,4,6,7-tetrahydrotriazolo[4,5-c]pyridine
CID 130728343
N-methyl-1-propan-2-ylpyrrolidin-3-imine
CID 129120591
6,7,10,11-tetramethoxy-2-propan-2-yl-3,4-dihydro-1H-phenanthro[9,10-c]pyridine
CID 71450218
N-(3-fluorophenyl)-2-(1-methyl-3-oxo-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl)propanamide
CID 136563024

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The IUPAC name of 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one (CID 142546665) is 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one.
What is the SMILES notation for 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The canonical SMILES for 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is C=C(C)n1[nH]c(=O)c2c1CCN(C(C)C)C2.
What is the InChIKey of 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
The InChIKey is ZEWLWJOGYMSMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8(2)14-6-5-11-10(7-14)12(16)13-15(11)9(3)4/h8H,3,5-7H2,1-2,4H3,(H,13,16).
What are the key properties of 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one?
5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one has a molecular weight of 221.30 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-prop-1-en-2-yl-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-one is sourced from PubChem (CID 142546665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).