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

C17H15Cl2N3OS — CID 164620781

IUPACN-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1
InChIInChI=1S/C17H15Cl2N3OS/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)
InChIKeyZZLYDFCYFSKUBF-UHFFFAOYSA-N
MW380.30 g/mol
LogP5.17
Rot. Bonds4

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

N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (PubChem CID 164620781) has the molecular formula C17H15Cl2N3OS and a molecular weight of 380.30 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
PubChem CID164620781
Molecular FormulaC17H15Cl2N3OS
Molecular Weight380.30 g/mol
Exact Mass379.03
IUPAC NameN-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide
SMILESCc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1
InChIInChI=1S/C17H15Cl2N3OS/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)
InChIKeyZZLYDFCYFSKUBF-UHFFFAOYSA-N
XLogP5.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.30
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide (CID 164620781) is N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)s2)n1.
What is the InChIKey of N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
The InChIKey is ZZLYDFCYFSKUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N3OS/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-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide?
N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide has a molecular weight of 380.30 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-5-[(3,5-dimethylpyrazol-1-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 164620781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).