3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide

C18H10BrCl4N5OS — CID 71813408

IUPAC3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
SMILESO=C(c1cc(Br)nn1-c1ncccc1Cl)N(C1=NCCS1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H10BrCl4N5OS/c19-14-8-13(28(26-14)16-10(21)2-1-3-24-16)17(29)27(18-25-4-5-30-18)15-11(22)6-9(20)7-12(15)23/h1-3,6-8H,4-5H2
InChIKeyDMHLHHKCPIAADN-UHFFFAOYSA-N
MW566.10 g/mol
LogP6.39
Rot. Bonds3

About 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide

3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide (PubChem CID 71813408) has the molecular formula C18H10BrCl4N5OS and a molecular weight of 566.10 g/mol. Its IUPAC name is 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
PubChem CID71813408
Molecular FormulaC18H10BrCl4N5OS
Molecular Weight566.10 g/mol
Exact Mass562.85
IUPAC Name3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide
SMILESO=C(c1cc(Br)nn1-c1ncccc1Cl)N(C1=NCCS1)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C18H10BrCl4N5OS/c19-14-8-13(28(26-14)16-10(21)2-1-3-24-16)17(29)27(18-25-4-5-30-18)15-11(22)6-9(20)7-12(15)23/h1-3,6-8H,4-5H2
InChIKeyDMHLHHKCPIAADN-UHFFFAOYSA-N
XLogP6.39
TPSA63.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.10
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-methylamino]-3,5-dichlorobenzoyl chloride
CID 175538991
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(dimethylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666900
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-3,5-dichlorobenzoyl chloride
CID 175539000
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-ethylpyrazole-5-carboxamide
CID 155666892
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(diethylcarbamothioyl)phenyl]-N-methylpyrazole-5-carboxamide
CID 155666934
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2,4-dichloro-6-(methylcarbamoyl)phenyl]-N-methylpyrazole-5-carboxamide;3,5-dichloro-N-methyl-2-(methylamino)benzamide
CID 175051486
5-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-cyclopropylamino]-3-chlorobenzoic acid
CID 175539030
3-bromo-2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]-ethylamino]-5-chlorobenzoyl chloride
CID 175539002
N-acetyl-N-[2-[acetyl(ethyl)carbamoyl]-6-bromo-4-chlorophenyl]-3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 156635325
N-acetyl-3-bromo-N-[2-bromo-4-chloro-6-[ethyl(methyl)carbamoyl]phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 156635316
[3-bromo-1-(3-chloro-2-pyridinyl)pyrazol-5-yl]-imidazol-1-ylmethanone
CID 123646569
2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-3,5-dichlorobenzoyl chloride
CID 175324112

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The IUPAC name of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide (CID 71813408) is 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide is O=C(c1cc(Br)nn1-c1ncccc1Cl)N(C1=NCCS1)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
The InChIKey is DMHLHHKCPIAADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10BrCl4N5OS/c19-14-8-13(28(26-14)16-10(21)2-1-3-24-16)17(29)27(18-25-4-5-30-18)15-11(22)6-9(20)7-12(15)23/h1-3,6-8H,4-5H2.
What are the key properties of 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide?
3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide has a molecular weight of 566.10 g/mol, XLogP of 6.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(3-chloro-2-pyridinyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-N-(2,4,6-trichlorophenyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71813408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).