1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one

C17H15N3O — CID 166365330

IUPAC1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H15N3O/c21-17-5-2-10-20(17)13-8-6-12(7-9-13)14-3-1-4-16-15(14)11-18-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,18,19)
InChIKeyHQANKACSLPAKEI-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.36
Rot. Bonds2

About 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one

1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one (PubChem CID 166365330) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
PubChem CID166365330
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(-c2cccc3[nH]ncc23)cc1
InChIInChI=1S/C17H15N3O/c21-17-5-2-10-20(17)13-8-6-12(7-9-13)14-3-1-4-16-15(14)11-18-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,18,19)
InChIKeyHQANKACSLPAKEI-UHFFFAOYSA-N
XLogP3.36
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one (CID 166365330) is 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(-c2cccc3[nH]ncc23)cc1.
What is the InChIKey of 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one?
The InChIKey is HQANKACSLPAKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c21-17-5-2-10-20(17)13-8-6-12(7-9-13)14-3-1-4-16-15(14)11-18-19-16/h1,3-4,6-9,11H,2,5,10H2,(H,18,19).
What are the key properties of 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one?
1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one has a molecular weight of 277.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-indazol-4-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 166365330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).