2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

C15H11ClFN3OS — CID 156585238

IUPAC2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1c(NC(=O)c2c(F)cccc2Cl)n[nH]c1-c1cccs1
InChIInChI=1S/C15H11ClFN3OS/c1-8-13(11-6-3-7-22-11)19-20-14(8)18-15(21)12-9(16)4-2-5-10(12)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyOSJSNMMTNZAHQA-UHFFFAOYSA-N
MW335.79 g/mol
LogP4.49
Rot. Bonds3

About 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide

2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 156585238) has the molecular formula C15H11ClFN3OS and a molecular weight of 335.79 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID156585238
Molecular FormulaC15H11ClFN3OS
Molecular Weight335.79 g/mol
Exact Mass335.03
IUPAC Name2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1c(NC(=O)c2c(F)cccc2Cl)n[nH]c1-c1cccs1
InChIInChI=1S/C15H11ClFN3OS/c1-8-13(11-6-3-7-22-11)19-20-14(8)18-15(21)12-9(16)4-2-5-10(12)17/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyOSJSNMMTNZAHQA-UHFFFAOYSA-N
XLogP4.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.79
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 155917529
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2,6-difluorobenzamide
CID 155945536
4-(2-chloro-6-fluorophenyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 43334983
N-ethyl-4-methyl-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63047438
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-[(5-thiophen-2-ylfuran-2-yl)methyl]benzamide
CID 121019111
2-chloro-6-fluoro-N-(2-oxo-2-thiophen-2-ylethyl)benzamide
CID 75357568
2-chloro-6-fluoro-N-(4-fluoro-1-methylindazol-3-yl)benzamide
CID 2742954
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methyl-2-thiophen-2-yl-1,3-thiazole-5-carboxamide
CID 115594896
N-(5-amino-6-methyl-2-pyridinyl)-2-chloro-6-fluorobenzamide
CID 82330961
2-chloro-N-[5-(chloromethyl)-1,3,4-thiadiazol-2-yl]-6-fluorobenzamide
CID 93205844

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide (CID 156585238) is 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is Cc1c(NC(=O)c2c(F)cccc2Cl)n[nH]c1-c1cccs1.
What is the InChIKey of 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is OSJSNMMTNZAHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3OS/c1-8-13(11-6-3-7-22-11)19-20-14(8)18-15(21)12-9(16)4-2-5-10(12)17/h2-7H,1H3,(H2,18,19,20,21).
What are the key properties of 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide?
2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 335.79 g/mol, XLogP of 4.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-(4-methyl-5-thiophen-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 156585238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).