1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide

C16H14FN3OS — CID 46450451

IUPAC1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3OS/c17-12-3-5-13(6-4-12)20-10-8-15(19-20)16(21)18-9-7-14-2-1-11-22-14/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyIUAKZLDMPWVHPR-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.05
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide

1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide (PubChem CID 46450451) has the molecular formula C16H14FN3OS and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
PubChem CID46450451
Molecular FormulaC16H14FN3OS
Molecular Weight315.37 g/mol
Exact Mass315.08
IUPAC Name1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide
SMILESO=C(NCCc1cccs1)c1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C16H14FN3OS/c17-12-3-5-13(6-4-12)20-10-8-15(19-20)16(21)18-9-7-14-2-1-11-22-14/h1-6,8,10-11H,7,9H2,(H,18,21)
InChIKeyIUAKZLDMPWVHPR-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide (CID 46450451) is 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide is O=C(NCCc1cccs1)c1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
The InChIKey is IUAKZLDMPWVHPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3OS/c17-12-3-5-13(6-4-12)20-10-8-15(19-20)16(21)18-9-7-14-2-1-11-22-14/h1-6,8,10-11H,7,9H2,(H,18,21).
What are the key properties of 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide?
1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide has a molecular weight of 315.37 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(2-thiophen-2-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 46450451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).