1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone

C15H15N3O — CID 79107232

IUPAC1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H15N3O/c1-11(19)14-8-5-9-18(14)10-13-12-6-3-4-7-15(12)17(2)16-13/h3-9H,10H2,1-2H3
InChIKeyRCTUZPHWQGJSHU-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.63
Rot. Bonds3

About 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone

1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone (PubChem CID 79107232) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
PubChem CID79107232
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone
SMILESCC(=O)c1cccn1Cc1nn(C)c2ccccc12
InChIInChI=1S/C15H15N3O/c1-11(19)14-8-5-9-18(14)10-13-12-6-3-4-7-15(12)17(2)16-13/h3-9H,10H2,1-2H3
InChIKeyRCTUZPHWQGJSHU-UHFFFAOYSA-N
XLogP2.63
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The IUPAC name of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone (CID 79107232) is 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone is CC(=O)c1cccn1Cc1nn(C)c2ccccc12.
What is the InChIKey of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone?
The InChIKey is RCTUZPHWQGJSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(19)14-8-5-9-18(14)10-13-12-6-3-4-7-15(12)17(2)16-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone?
1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone has a molecular weight of 253.31 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(1-methylindazol-3-yl)methyl]pyrrol-2-yl]ethanone is sourced from PubChem (CID 79107232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).