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

C15H11Cl2N3OS — CID 42044485

IUPAC2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-13-6-12(14(17)22-13)15(21)18-7-10-8-19-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,18,21)
InChIKeyZTOLSONTIBERNG-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.17
Rot. Bonds4

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

2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide (PubChem CID 42044485) has the molecular formula C15H11Cl2N3OS and a molecular weight of 352.25 g/mol. Its IUPAC name is 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
PubChem CID42044485
Molecular FormulaC15H11Cl2N3OS
Molecular Weight352.25 g/mol
Exact Mass351.00
IUPAC Name2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide
SMILESO=C(NCc1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl
InChIInChI=1S/C15H11Cl2N3OS/c16-13-6-12(14(17)22-13)15(21)18-7-10-8-19-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,18,21)
InChIKeyZTOLSONTIBERNG-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]furan-3-carboxamide
CID 106685695
5-bromo-2-chloro-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 134036052
N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 86968538
5-methyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 52553185
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
2,3,5-trichloro-6-hydroxy-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 112821059
2-(2-methoxyethoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 55996337
1-benzyl-5-ethyl-N-[(1-phenylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 78873007
2-chloro-5-(diethylsulfamoyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 17483208
2-phenyl-N-[(1-phenylpyrazol-4-yl)methyl]triazole-4-carboxamide
CID 134036061
2,3-dichloro-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]benzamide
CID 86968465
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 64523664

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide (CID 42044485) is 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide is O=C(NCc1cnn(-c2ccccc2)c1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
The InChIKey is ZTOLSONTIBERNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3OS/c16-13-6-12(14(17)22-13)15(21)18-7-10-8-19-20(9-10)11-4-2-1-3-5-11/h1-6,8-9H,7H2,(H,18,21).
What are the key properties of 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide?
2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide has a molecular weight of 352.25 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-3-carboxamide is sourced from PubChem (CID 42044485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).