(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone

C12H13N3O2 — CID 62916238

IUPAC(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC(O)C1
InChIInChI=1S/C12H13N3O2/c16-10-3-4-15(7-10)12(17)8-1-2-11-9(5-8)6-13-14-11/h1-2,5-6,10,16H,3-4,7H2,(H,13,14)
InChIKeyUDBGCNCUYZEDGP-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.77
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone

(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone (PubChem CID 62916238) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
PubChem CID62916238
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone
SMILESO=C(c1ccc2[nH]ncc2c1)N1CCC(O)C1
InChIInChI=1S/C12H13N3O2/c16-10-3-4-15(7-10)12(17)8-1-2-11-9(5-8)6-13-14-11/h1-2,5-6,10,16H,3-4,7H2,(H,13,14)
InChIKeyUDBGCNCUYZEDGP-UHFFFAOYSA-N
XLogP0.77
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-(1H-indazol-5-yl)methanone
CID 43502692
[(3S)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 93084212
[(3R,5S)-3,5-dimethylpiperazin-1-yl]-(1H-indazol-5-yl)methanone
CID 124589837
[(3R,4R)-4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-hydroxypiperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 176799648
[4-(4-chlorophenoxy)piperidin-1-yl]-(1H-indazol-5-yl)methanone
CID 117073747
(3,4-dichlorophenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261191
2H-benzotriazol-5-yl-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79029470
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
1H-indazol-5-yl-(2-methylpiperidin-1-yl)methanone
CID 110485432
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone
CID 154833498
[1-(1H-indazole-5-carbonyl)piperidin-3-yl]-(2-methylpiperazin-1-yl)methanone
CID 167885425
(6-bromo-3-pyridinyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 79041393

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone (CID 62916238) is (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone is O=C(c1ccc2[nH]ncc2c1)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone?
The InChIKey is UDBGCNCUYZEDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c16-10-3-4-15(7-10)12(17)8-1-2-11-9(5-8)6-13-14-11/h1-2,5-6,10,16H,3-4,7H2,(H,13,14).
What are the key properties of (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone?
(3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-(1H-indazol-5-yl)methanone is sourced from PubChem (CID 62916238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).