N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide

C17H15ClFN3OS — CID 164613807

IUPACN-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)s2)n1
InChIInChI=1S/C17H15ClFN3OS/c1-10-7-11(2)22(21-10)9-13-4-6-16(24-13)17(23)20-12-3-5-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyUHYCWHHJQXDHRP-UHFFFAOYSA-N
MW363.85 g/mol
LogP4.65
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide

N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 164613807) has the molecular formula C17H15ClFN3OS and a molecular weight of 363.85 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
PubChem CID164613807
Molecular FormulaC17H15ClFN3OS
Molecular Weight363.85 g/mol
Exact Mass363.06
IUPAC NameN-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)s2)n1
InChIInChI=1S/C17H15ClFN3OS/c1-10-7-11(2)22(21-10)9-13-4-6-16(24-13)17(23)20-12-3-5-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,23)
InChIKeyUHYCWHHJQXDHRP-UHFFFAOYSA-N
XLogP4.65
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.85
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
CID 164620781
N-(4-chlorophenyl)-1-methyl-3-(trifluoromethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 1471455
N-[(E)-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]thiophene-2-carboxamide
CID 6892947
5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-phenylthiophene-2-carboxamide
CID 3801312
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-2-methylphenyl)thiophene-2-carboxamide
CID 164619960
N-(2-chlorophenyl)-5-(1-methyl-3-phenylpyrazol-5-yl)thiophene-2-carboxamide
CID 68062186
N-(2-chlorophenyl)-5-[3-(2-fluorophenyl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062194
4-amino-N-(2-fluorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062204
4-amino-N-(2-chlorophenyl)-5-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 68062205
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 24979140
N-(4-chlorophenyl)-5-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]thiophene-2-carboxamide
CID 2819876
5-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4-fluoro-3-methylphenyl)thiophene-2-carboxamide
CID 164614073

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (CID 164613807) is N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(F)c3)s2)n1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is UHYCWHHJQXDHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFN3OS/c1-10-7-11(2)22(21-10)9-13-4-6-16(24-13)17(23)20-12-3-5-14(18)15(19)8-12/h3-8H,9H2,1-2H3,(H,20,23).
What are the key properties of N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 363.85 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 164613807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).