1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

C9H13N3O2 — CID 79139214

IUPAC1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCC(O)C1
InChIInChI=1S/C9H13N3O2/c13-8-2-4-12(6-8)9(14)5-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11)
InChIKeyLIAUYLKAVODOFC-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.45
Rot. Bonds2

About 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone

1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (PubChem CID 79139214) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
PubChem CID79139214
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
SMILESO=C(Cc1ccn[nH]1)N1CCC(O)C1
InChIInChI=1S/C9H13N3O2/c13-8-2-4-12(6-8)9(14)5-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11)
InChIKeyLIAUYLKAVODOFC-UHFFFAOYSA-N
XLogP-0.45
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 112530943
[(3S)-3-hydroxypyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 79029409
1-(4-methylpiperazin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 84579292
1-[3-(1-hydroxycyclopropyl)piperidin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 138379141
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone
CID 80706631
2-(4-hydroxyphenyl)-1-[(3S)-3-hydroxypyrrolidin-1-yl]ethanone
CID 79029330
2-(1H-pyrazol-5-yl)-1-[3-[1-(spiro[3.3]heptane-2-carbonyl)pyrrolidin-3-yl]piperidin-1-yl]ethanone
CID 167753439
1-[2-(hydroxymethyl)azepan-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 116636251
1-[4-ethyl-3-(1-methylimidazol-2-yl)piperazin-1-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 129007004
1-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-(1H-pyrazol-5-yl)ethanone
CID 154563682
2-[3-methyl-1-[2-(1H-pyrazol-5-yl)acetyl]azetidin-3-yl]oxyacetic acid
CID 102657225
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-[methyl(pyrimidin-2-yl)amino]ethanone
CID 66262023

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The IUPAC name of 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone (CID 79139214) is 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone.
What is the SMILES notation for 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The canonical SMILES for 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is O=C(Cc1ccn[nH]1)N1CCC(O)C1.
What is the InChIKey of 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
The InChIKey is LIAUYLKAVODOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-8-2-4-12(6-8)9(14)5-7-1-3-10-11-7/h1,3,8,13H,2,4-6H2,(H,10,11).
What are the key properties of 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone?
1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone has a molecular weight of 195.22 g/mol, XLogP of -0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypyrrolidin-1-yl)-2-(1H-pyrazol-5-yl)ethanone is sourced from PubChem (CID 79139214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).