1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

C15H17N3O — CID 82590520

IUPAC1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)n1nc(-c2cccnc2)c2c1CCCC2=O
InChIInChI=1S/C15H17N3O/c1-10(2)18-12-6-3-7-13(19)14(12)15(17-18)11-5-4-8-16-9-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKJGSBRNWMXKGOJ-UHFFFAOYSA-N
MW255.32 g/mol
LogP3.05
Rot. Bonds2

About 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one

1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (PubChem CID 82590520) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.

Molecular Properties

Compound Name1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
PubChem CID82590520
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one
SMILESCC(C)n1nc(-c2cccnc2)c2c1CCCC2=O
InChIInChI=1S/C15H17N3O/c1-10(2)18-12-6-3-7-13(19)14(12)15(17-18)11-5-4-8-16-9-11/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKJGSBRNWMXKGOJ-UHFFFAOYSA-N
XLogP3.05
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-oxo-3-pyridin-3-yl-6,7-dihydro-5H-indazol-1-yl)benzoic acid
CID 110458733
1,3-di(propan-2-yl)-6,7-dihydro-5H-indazol-4-one
CID 82590514
3-ethyl-1-propan-2-yl-6,7-dihydro-5H-indazol-4-one
CID 82590512
1-tert-butyl-3-(3-fluorophenyl)-6,7-dihydro-5H-indazol-4-one
CID 82590841
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
2-pyridin-3-yl-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975759
3-ethyl-1-(1-phenylethyl)-6,7-dihydro-5H-indazol-4-one
CID 82590685
2-[3-(4-tert-butylphenyl)-4-oxo-6,7-dihydro-5H-indazol-1-yl]acetic acid
CID 110458551
1-phenyl-3-pyridin-3-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 82592488
3-(1-fluoropyrazol-3-yl)pyridine
CID 174166820
2-methyl-4-pyridin-3-ylphthalazin-1-one
CID 10060065
4-(2-fluoro-4-pyridin-3-ylphenyl)-2-propan-2-yl-1,2,4-triazol-3-one
CID 141416377

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The IUPAC name of 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one (CID 82590520) is 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one.
What is the SMILES notation for 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The canonical SMILES for 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is CC(C)n1nc(-c2cccnc2)c2c1CCCC2=O.
What is the InChIKey of 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
The InChIKey is KJGSBRNWMXKGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10(2)18-12-6-3-7-13(19)14(12)15(17-18)11-5-4-8-16-9-11/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one?
1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one has a molecular weight of 255.32 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-pyridin-3-yl-6,7-dihydro-5H-indazol-4-one is sourced from PubChem (CID 82590520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).