3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

C14H17N3O — CID 166259361

IUPAC3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1[nH]nc2ccccc12)N1CCCC1
InChIInChI=1S/C14H17N3O/c18-14(17-9-3-4-10-17)8-7-13-11-5-1-2-6-12(11)15-16-13/h1-2,5-6H,3-4,7-10H2,(H,15,16)
InChIKeyANFUVSLGBINHFM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.12
Rot. Bonds3

About 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one

3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 166259361) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID166259361
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCc1[nH]nc2ccccc12)N1CCCC1
InChIInChI=1S/C14H17N3O/c18-14(17-9-3-4-10-17)8-7-13-11-5-1-2-6-12(11)15-16-13/h1-2,5-6H,3-4,7-10H2,(H,15,16)
InChIKeyANFUVSLGBINHFM-UHFFFAOYSA-N
XLogP2.12
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2H-indazol-3-yl)-1-piperazin-1-ylethanone;hydrochloride
CID 119402326
1-[2-(2H-indazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119166712
1-(4-aminopiperidin-1-yl)-2-(2H-indazol-3-yl)ethanone
CID 119375250
1-[3-(hydroxymethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-6-yl]-3-(2H-indazol-3-yl)propan-1-one
CID 166319079
1-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]-2-(2H-indazol-3-yl)ethanone
CID 135102219
2-(2H-indazol-3-yl)-1-[3-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 47803990
2-(2H-indazol-3-yl)-1-[2-(pyrrolidine-1-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 50980598
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone
CID 119646692
3-(1,3-benzothiazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 60629326
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
8-[2-(2H-indazol-3-yl)acetyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 127419534
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2H-indazol-3-yl)ethanone;hydrochloride
CID 119623896

Frequently Asked Questions

What is the IUPAC name of 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one (CID 166259361) is 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one is O=C(CCc1[nH]nc2ccccc12)N1CCCC1.
What is the InChIKey of 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is ANFUVSLGBINHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c18-14(17-9-3-4-10-17)8-7-13-11-5-1-2-6-12(11)15-16-13/h1-2,5-6H,3-4,7-10H2,(H,15,16).
What are the key properties of 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one?
3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 243.31 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2H-indazol-3-yl)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 166259361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).