N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

C18H12FN3OS — CID 154857565

IUPACN-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc2ccsc12)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H12FN3OS/c19-13-4-2-5-14(11-13)22-9-7-16(21-22)18(23)20-15-6-1-3-12-8-10-24-17(12)15/h1-11H,(H,20,23)
InChIKeyPGUCOZYORASWEK-UHFFFAOYSA-N
MW337.38 g/mol
LogP4.48
Rot. Bonds3

About N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide

N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (PubChem CID 154857565) has the molecular formula C18H12FN3OS and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
PubChem CID154857565
Molecular FormulaC18H12FN3OS
Molecular Weight337.38 g/mol
Exact Mass337.07
IUPAC NameN-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide
SMILESO=C(Nc1cccc2ccsc12)c1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H12FN3OS/c19-13-4-2-5-14(11-13)22-9-7-16(21-22)18(23)20-15-6-1-3-12-8-10-24-17(12)15/h1-11H,(H,20,23)
InChIKeyPGUCOZYORASWEK-UHFFFAOYSA-N
XLogP4.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide (CID 154857565) is N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is O=C(Nc1cccc2ccsc12)c1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
The InChIKey is PGUCOZYORASWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3OS/c19-13-4-2-5-14(11-13)22-9-7-16(21-22)18(23)20-15-6-1-3-12-8-10-24-17(12)15/h1-11H,(H,20,23).
What are the key properties of N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide?
N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-7-yl)-1-(3-fluorophenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 154857565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).