1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one

C15H19N3O — CID 116560889

IUPAC1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESCn1nc(CC(=O)CC2CCCN2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-15-7-3-2-6-13(15)14(17-18)10-12(19)9-11-5-4-8-16-11/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyHQUSYJHOWMTXJG-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.83
Rot. Bonds4

About 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one

1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one (PubChem CID 116560889) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one.

Molecular Properties

Compound Name1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
PubChem CID116560889
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one
SMILESCn1nc(CC(=O)CC2CCCN2)c2ccccc21
InChIInChI=1S/C15H19N3O/c1-18-15-7-3-2-6-13(15)14(17-18)10-12(19)9-11-5-4-8-16-11/h2-3,6-7,11,16H,4-5,8-10H2,1H3
InChIKeyHQUSYJHOWMTXJG-UHFFFAOYSA-N
XLogP1.83
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 116563673
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CID 116559545
6-[(1-methylindazol-3-yl)methyl]piperidine-2-carboxylic acid
CID 115930088
2-(1-methylindazol-3-yl)acetamide
CID 67465474
1-phenyl-3-piperidin-2-ylpropan-2-one
CID 22237365
1-(2-chlorophenyl)-3-pyrrolidin-2-ylpropan-2-one
CID 116560934
1-cyclopentyl-3-(1-ethylindazol-3-yl)propan-2-one
CID 114981052
1-(1-methylindazol-3-yl)-3-(prop-2-enylamino)propan-2-one
CID 116589787
1-(1-ethylindazol-3-yl)-3-piperidin-4-ylpropan-2-one
CID 116560043
3-[[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]methyl]-1-methylindazole
CID 103887087
1-(2-ethylpyrrolidin-2-yl)-2-(1-methylindazol-3-yl)ethanone
CID 116608186
3-(azepan-3-ylmethyl)-1-methylindazole
CID 104680728

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one?
The IUPAC name of 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one (CID 116560889) is 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one.
What is the SMILES notation for 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one?
The canonical SMILES for 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one is Cn1nc(CC(=O)CC2CCCN2)c2ccccc21.
What is the InChIKey of 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one?
The InChIKey is HQUSYJHOWMTXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-15-7-3-2-6-13(15)14(17-18)10-12(19)9-11-5-4-8-16-11/h2-3,6-7,11,16H,4-5,8-10H2,1H3.
What are the key properties of 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one?
1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one has a molecular weight of 257.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylindazol-3-yl)-3-pyrrolidin-2-ylpropan-2-one is sourced from PubChem (CID 116560889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).