5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

C21H16FN3OS — CID 55612844

IUPAC5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H16FN3OS/c22-17-7-5-16(6-8-17)19-9-10-20(27-19)21(26)24-18-4-1-3-15(13-18)14-25-12-2-11-23-25/h1-13H,14H2,(H,24,26)
InChIKeyFKNIKRIGCMMFAA-UHFFFAOYSA-N
MW377.44 g/mol
LogP5.05
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 55612844) has the molecular formula C21H16FN3OS and a molecular weight of 377.44 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID55612844
Molecular FormulaC21H16FN3OS
Molecular Weight377.44 g/mol
Exact Mass377.10
IUPAC Name5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H16FN3OS/c22-17-7-5-16(6-8-17)19-9-10-20(27-19)21(26)24-18-4-1-3-15(13-18)14-25-12-2-11-23-25/h1-13H,14H2,(H,24,26)
InChIKeyFKNIKRIGCMMFAA-UHFFFAOYSA-N
XLogP5.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.44
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide (CID 55612844) is 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FKNIKRIGCMMFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3OS/c22-17-7-5-16(6-8-17)19-9-10-20(27-19)21(26)24-18-4-1-3-15(13-18)14-25-12-2-11-23-25/h1-13H,14H2,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 5.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 55612844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).