1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

C20H15BrN4O — CID 137375527

IUPAC1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1Br
InChIInChI=1S/C20H15BrN4O/c1-13-15(12-22-25(13)18-9-5-3-7-16(18)21)20(26)24-19-11-10-14-6-2-4-8-17(14)23-19/h2-12H,1H3,(H,23,24,26)
InChIKeyATYUYECWVYSPBS-UHFFFAOYSA-N
MW407.27 g/mol
LogP4.74
Rot. Bonds3

About 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide

1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 137375527) has the molecular formula C20H15BrN4O and a molecular weight of 407.27 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID137375527
Molecular FormulaC20H15BrN4O
Molecular Weight407.27 g/mol
Exact Mass406.04
IUPAC Name1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1Br
InChIInChI=1S/C20H15BrN4O/c1-13-15(12-22-25(13)18-9-5-3-7-16(18)21)20(26)24-19-11-10-14-6-2-4-8-17(14)23-19/h2-12H,1H3,(H,23,24,26)
InChIKeyATYUYECWVYSPBS-UHFFFAOYSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.27
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide (CID 137375527) is 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc3ccccc3n2)cnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is ATYUYECWVYSPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4O/c1-13-15(12-22-25(13)18-9-5-3-7-16(18)21)20(26)24-19-11-10-14-6-2-4-8-17(14)23-19/h2-12H,1H3,(H,23,24,26).
What are the key properties of 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide?
1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 407.27 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methyl-N-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 137375527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).