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

C19H13BrN4OS — CID 1287471

IUPAC3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C19H13BrN4OS/c20-14-6-4-5-13(11-14)17-16(18(25)22-19-21-9-10-26-19)12-24(23-17)15-7-2-1-3-8-15/h1-12H,(H,21,22,25)
InChIKeyRCAALRCSQBTKFR-UHFFFAOYSA-N
MW425.31 g/mol
LogP5.01
Rot. Bonds4

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

3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 1287471) has the molecular formula C19H13BrN4OS and a molecular weight of 425.31 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
PubChem CID1287471
Molecular FormulaC19H13BrN4OS
Molecular Weight425.31 g/mol
Exact Mass424.00
IUPAC Name3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
SMILESO=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1
InChIInChI=1S/C19H13BrN4OS/c20-14-6-4-5-13(11-14)17-16(18(25)22-19-21-9-10-26-19)12-24(23-17)15-7-2-1-3-8-15/h1-12H,(H,21,22,25)
InChIKeyRCAALRCSQBTKFR-UHFFFAOYSA-N
XLogP5.01
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.31
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-nitrophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 1289699
1-(3-bromophenyl)-2,5-dimethyl-N-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 52708985
3-(4-bromophenyl)-N,1-diphenylpyrazole-4-carboxamide
CID 1339749
1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-3-(1,3-thiazol-2-yl)urea
CID 8005181
(2S)-2-amino-3-[4-[[3-(3-bromophenyl)-1-pyridin-4-ylpyrazole-4-carbonyl]amino]phenyl]propanoic acid
CID 166356773
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 139226266
2-chloro-5-phenyl-N-(1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 10448430
3-(4-bromophenyl)-N-(4-hydroxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 178135055
1-(4-methylphenyl)-3-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369468
N-(3-acetamidophenyl)-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 42282160
3-(3-chlorophenyl)-N-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 154929741
4-[[3-(3-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 1287582

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide (CID 1287471) is 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is O=C(Nc1nccs1)c1cn(-c2ccccc2)nc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is RCAALRCSQBTKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4OS/c20-14-6-4-5-13(11-14)17-16(18(25)22-19-21-9-10-26-19)12-24(23-17)15-7-2-1-3-8-15/h1-12H,(H,21,22,25).
What are the key properties of 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide?
3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 425.31 g/mol, XLogP of 5.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1-phenyl-N-(1,3-thiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 1287471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).