(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane

C19H21BrN2O — CID 67715193

IUPAC(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane
SMILESCCCC.Cc1cccc2c(C(=O)c3ccc(Br)cc3)cnn12
InChIInChI=1S/C15H11BrN2O.C4H10/c1-10-3-2-4-14-13(9-17-18(10)14)15(19)11-5-7-12(16)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyLQUJPPYXDPUPPB-UHFFFAOYSA-N
MW373.29 g/mol
LogP5.44
Rot. Bonds3

About (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane

(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane (PubChem CID 67715193) has the molecular formula C19H21BrN2O and a molecular weight of 373.29 g/mol. Its IUPAC name is (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane.

Molecular Properties

Compound Name(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane
PubChem CID67715193
Molecular FormulaC19H21BrN2O
Molecular Weight373.29 g/mol
Exact Mass372.08
IUPAC Name(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane
SMILESCCCC.Cc1cccc2c(C(=O)c3ccc(Br)cc3)cnn12
InChIInChI=1S/C15H11BrN2O.C4H10/c1-10-3-2-4-14-13(9-17-18(10)14)15(19)11-5-7-12(16)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3
InChIKeyLQUJPPYXDPUPPB-UHFFFAOYSA-N
XLogP5.44
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.29
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane?
The IUPAC name of (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane (CID 67715193) is (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane.
What is the SMILES notation for (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane?
The canonical SMILES for (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane is CCCC.Cc1cccc2c(C(=O)c3ccc(Br)cc3)cnn12.
What is the InChIKey of (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane?
The InChIKey is LQUJPPYXDPUPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O.C4H10/c1-10-3-2-4-14-13(9-17-18(10)14)15(19)11-5-7-12(16)8-6-11;1-3-4-2/h2-9H,1H3;3-4H2,1-2H3.
What are the key properties of (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane?
(4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane has a molecular weight of 373.29 g/mol, XLogP of 5.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(7-methylpyrazolo[1,5-a]pyridin-3-yl)methanone;butane is sourced from PubChem (CID 67715193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).