1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

C20H15BrN4OS — CID 166156405

IUPAC1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(-c3ccccc3)s2)cnn1-c1ccccc1Br
InChIInChI=1S/C20H15BrN4OS/c1-13-15(11-23-25(13)17-10-6-5-9-16(17)21)19(26)24-20-22-12-18(27-20)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24,26)
InChIKeyNGNMOYLOHYRDFP-UHFFFAOYSA-N
MW439.34 g/mol
LogP5.32
Rot. Bonds4

About 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide

1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 166156405) has the molecular formula C20H15BrN4OS and a molecular weight of 439.34 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID166156405
Molecular FormulaC20H15BrN4OS
Molecular Weight439.34 g/mol
Exact Mass438.01
IUPAC Name1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ncc(-c3ccccc3)s2)cnn1-c1ccccc1Br
InChIInChI=1S/C20H15BrN4OS/c1-13-15(11-23-25(13)17-10-6-5-9-16(17)21)19(26)24-20-22-12-18(27-20)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24,26)
InChIKeyNGNMOYLOHYRDFP-UHFFFAOYSA-N
XLogP5.32
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.34
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 166156405) is 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)Nc2ncc(-c3ccccc3)s2)cnn1-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is NGNMOYLOHYRDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrN4OS/c1-13-15(11-23-25(13)17-10-6-5-9-16(17)21)19(26)24-20-22-12-18(27-20)14-7-3-2-4-8-14/h2-12H,1H3,(H,22,24,26).
What are the key properties of 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide?
1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 439.34 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-methyl-N-(5-phenyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 166156405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).