1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone

C13H15N3O2 — CID 111562018

IUPAC1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C13H15N3O2/c17-11-5-6-15(8-11)13(18)9-16-12-4-2-1-3-10(12)7-14-16/h1-4,7,11,17H,5-6,8-9H2/t11-/m1/s1
InChIKeyDWPUNMIVRGBKAQ-LLVKDONJSA-N
MW245.28 g/mol
LogP0.63
Rot. Bonds2

About 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone

1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone (PubChem CID 111562018) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone.

Molecular Properties

Compound Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
PubChem CID111562018
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone
SMILESO=C(Cn1ncc2ccccc21)N1CC[C@@H](O)C1
InChIInChI=1S/C13H15N3O2/c17-11-5-6-15(8-11)13(18)9-16-12-4-2-1-3-10(12)7-14-16/h1-4,7,11,17H,5-6,8-9H2/t11-/m1/s1
InChIKeyDWPUNMIVRGBKAQ-LLVKDONJSA-N
XLogP0.63
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-indazol-1-ylacetyl)piperidine-3-carboxylic acid
CID 102553180
(2R,5S)-5-[1-(2-indazol-1-ylacetyl)piperidin-4-yl]oxolane-2-carboxylic acid
CID 154789058
2-indazol-1-yl-1-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]ethanone
CID 99938258
1-[(3aR,7aS)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324189
1-[(3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl]-2-indazol-1-ylethanone
CID 95324191
2-indazol-1-yl-1-[3-[3-(trifluoromethyl)pyrazol-1-yl]piperidin-1-yl]ethanone
CID 166207781
2-indazol-1-yl-1-[2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]ethanone
CID 86285054
1-[4-[4-(1-hydroxyethyl)triazol-1-yl]piperidin-1-yl]-2-indazol-1-ylethanone
CID 45180211
5-(azetidin-1-yl)-2-[1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 128974471
5-(azetidin-1-yl)-2-[(3S)-1-(2-indazol-1-ylacetyl)piperidin-3-yl]pyridazin-3-one
CID 129325110
1-[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-indazol-1-ylethanone
CID 97216054
2-indazol-1-yl-1-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]ethanone
CID 97084407

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The IUPAC name of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone (CID 111562018) is 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone.
What is the SMILES notation for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The canonical SMILES for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone is O=C(Cn1ncc2ccccc21)N1CC[C@@H](O)C1.
What is the InChIKey of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
The InChIKey is DWPUNMIVRGBKAQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-11-5-6-15(8-11)13(18)9-16-12-4-2-1-3-10(12)7-14-16/h1-4,7,11,17H,5-6,8-9H2/t11-/m1/s1.
What are the key properties of 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone?
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone has a molecular weight of 245.28 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-indazol-1-ylethanone is sourced from PubChem (CID 111562018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).