N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

C18H12ClN3OS2 — CID 2740260

IUPACN-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H12ClN3OS2/c19-12-3-1-4-13(11-12)21-18(23)22-14(8-9-20-22)15-6-7-17(25-15)16-5-2-10-24-16/h1-11H,(H,21,23)
InChIKeyFVPSJILLVFDRGN-UHFFFAOYSA-N
MW385.90 g/mol
LogP6.07
Rot. Bonds3

About N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide

N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (PubChem CID 2740260) has the molecular formula C18H12ClN3OS2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
PubChem CID2740260
Molecular FormulaC18H12ClN3OS2
Molecular Weight385.90 g/mol
Exact Mass385.01
IUPAC NameN-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)n1nccc1-c1ccc(-c2cccs2)s1
InChIInChI=1S/C18H12ClN3OS2/c19-12-3-1-4-13(11-12)21-18(23)22-14(8-9-20-22)15-6-7-17(25-15)16-5-2-10-24-16/h1-11H,(H,21,23)
InChIKeyFVPSJILLVFDRGN-UHFFFAOYSA-N
XLogP6.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.90
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide (CID 2740260) is N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is O=C(Nc1cccc(Cl)c1)n1nccc1-c1ccc(-c2cccs2)s1.
What is the InChIKey of N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
The InChIKey is FVPSJILLVFDRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3OS2/c19-12-3-1-4-13(11-12)21-18(23)22-14(8-9-20-22)15-6-7-17(25-15)16-5-2-10-24-16/h1-11H,(H,21,23).
What are the key properties of N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide?
N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide has a molecular weight of 385.90 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-5-(5-thiophen-2-ylthiophen-2-yl)pyrazole-1-carboxamide is sourced from PubChem (CID 2740260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).