(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone

C13H15N3O2 — CID 103357503

IUPAC(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)4-5-16(8-13)12(17)9-2-3-10-7-14-15-11(10)6-9/h2-3,6-7,18H,4-5,8H2,1H3,(H,14,15)
InChIKeyPCNKHTPURNLPKG-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.16
Rot. Bonds1

About (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone

(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone (PubChem CID 103357503) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
PubChem CID103357503
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
SMILESCC1(O)CCN(C(=O)c2ccc3cn[nH]c3c2)C1
InChIInChI=1S/C13H15N3O2/c1-13(18)4-5-16(8-13)12(17)9-2-3-10-7-14-15-11(10)6-9/h2-3,6-7,18H,4-5,8H2,1H3,(H,14,15)
InChIKeyPCNKHTPURNLPKG-UHFFFAOYSA-N
XLogP1.16
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1H-indazole-5-carbonyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146607
(3,4-dimethylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone
CID 79038789
3,6-dihydro-2H-pyridin-1-yl(1H-indazol-6-yl)methanone
CID 115970007
1-(1H-indazole-6-carbonyl)piperidine-4-carboxamide
CID 60715180
1H-indazol-6-yl-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 114539393
[4-[(dimethylamino)methyl]piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 62906319
[4-(1-hydroxyethyl)piperidin-1-yl]-(1H-indazol-6-yl)methanone
CID 106837074
methyl 1-(1H-indazole-6-carbonyl)piperidine-4-carboxylate
CID 43410335
(3-fluorophenyl)-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103726936
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl(1H-indazol-6-yl)methanone
CID 60715121
4-(3-hydroxy-3-methylpyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 103766238

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The IUPAC name of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone (CID 103357503) is (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone.
What is the SMILES notation for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The canonical SMILES for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone is CC1(O)CCN(C(=O)c2ccc3cn[nH]c3c2)C1.
What is the InChIKey of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
The InChIKey is PCNKHTPURNLPKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(18)4-5-16(8-13)12(17)9-2-3-10-7-14-15-11(10)6-9/h2-3,6-7,18H,4-5,8H2,1H3,(H,14,15).
What are the key properties of (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone?
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone has a molecular weight of 245.28 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-indazol-6-yl)methanone is sourced from PubChem (CID 103357503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).