(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone

C23H22N2O — CID 170857562

IUPAC(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCCCCn1nc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-3-4-15-25-21-12-8-7-11-20(21)22(24-25)23(26)19-14-13-16(2)17-9-5-6-10-18(17)19/h5-14H,3-4,15H2,1-2H3
InChIKeyOGPSOYCZOWNTML-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.53
Rot. Bonds5

About (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone

(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone (PubChem CID 170857562) has the molecular formula C23H22N2O and a molecular weight of 342.44 g/mol. Its IUPAC name is (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone.

Molecular Properties

Compound Name(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
PubChem CID170857562
Molecular FormulaC23H22N2O
Molecular Weight342.44 g/mol
Exact Mass342.17
IUPAC Name(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone
SMILESCCCCn1nc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21
InChIInChI=1S/C23H22N2O/c1-3-4-15-25-21-12-8-7-11-20(21)22(24-25)23(26)19-14-13-16(2)17-9-5-6-10-18(17)19/h5-14H,3-4,15H2,1-2H3
InChIKeyOGPSOYCZOWNTML-UHFFFAOYSA-N
XLogP5.53
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The IUPAC name of (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone (CID 170857562) is (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone.
What is the SMILES notation for (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The canonical SMILES for (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone is CCCCn1nc(C(=O)c2ccc(C)c3ccccc23)c2ccccc21.
What is the InChIKey of (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
The InChIKey is OGPSOYCZOWNTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O/c1-3-4-15-25-21-12-8-7-11-20(21)22(24-25)23(26)19-14-13-16(2)17-9-5-6-10-18(17)19/h5-14H,3-4,15H2,1-2H3.
What are the key properties of (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone?
(1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone has a molecular weight of 342.44 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butylindazol-3-yl)-(4-methylnaphthalen-1-yl)methanone is sourced from PubChem (CID 170857562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).