5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide

C16H12ClF2N3OS — CID 46104522

IUPAC5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C16H12ClF2N3OS/c1-2-22-13(14-5-6-15(17)24-14)8-12(21-22)16(23)20-9-3-4-10(18)11(19)7-9/h3-8H,2H2,1H3,(H,20,23)
InChIKeyZWJGBBIBGMAUSE-UHFFFAOYSA-N
MW367.81 g/mol
LogP4.82
Rot. Bonds4

About 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide

5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (PubChem CID 46104522) has the molecular formula C16H12ClF2N3OS and a molecular weight of 367.81 g/mol. Its IUPAC name is 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
PubChem CID46104522
Molecular FormulaC16H12ClF2N3OS
Molecular Weight367.81 g/mol
Exact Mass367.04
IUPAC Name5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccc(Cl)s1
InChIInChI=1S/C16H12ClF2N3OS/c1-2-22-13(14-5-6-15(17)24-14)8-12(21-22)16(23)20-9-3-4-10(18)11(19)7-9/h3-8H,2H2,1H3,(H,20,23)
InChIKeyZWJGBBIBGMAUSE-UHFFFAOYSA-N
XLogP4.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-difluorophenyl)-1-ethyl-5-(2-methoxyphenyl)pyrazole-3-carboxamide
CID 42879037
5-(3,4-difluorophenyl)-1-ethyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 46104896
5-(5-chlorothiophen-2-yl)-N-(3-methoxyphenyl)-1-propylpyrazole-3-carboxamide
CID 46105080
5-(2,5-dimethylthiophen-3-yl)-1-ethyl-N-(3-fluorophenyl)pyrazole-3-carboxamide
CID 42878929
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
1-butyl-N-(3,4-difluorophenyl)-6-oxopyridazine-3-carboxamide
CID 42161973
5-(5-chlorothiophen-2-yl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336625
5-(5-chlorothiophen-2-yl)-1-prop-2-enylpyrazole-3-carboxylic acid
CID 82305239
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3-chlorophenyl)-5-(3,4-difluorophenyl)-1-methylpyrazole-3-carboxamide
CID 42879099
1-[3-(3,4-difluoroanilino)-3-oxopropyl]-N-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 53065999
2-[3-[(3,4-difluorophenyl)carbamoyl]pyrazol-1-yl]acetic acid
CID 19500090

Frequently Asked Questions

What is the IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The IUPAC name of 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide (CID 46104522) is 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The canonical SMILES for 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is CCn1nc(C(=O)Nc2ccc(F)c(F)c2)cc1-c1ccc(Cl)s1.
What is the InChIKey of 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
The InChIKey is ZWJGBBIBGMAUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF2N3OS/c1-2-22-13(14-5-6-15(17)24-14)8-12(21-22)16(23)20-9-3-4-10(18)11(19)7-9/h3-8H,2H2,1H3,(H,20,23).
What are the key properties of 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide?
5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide has a molecular weight of 367.81 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chlorothiophen-2-yl)-N-(3,4-difluorophenyl)-1-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 46104522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).