5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide

C18H16FN3O2S — CID 74234706

IUPAC5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)16-7-13(10-25-16)18(24)22(2)9-14-8-20-21-17(14)12-3-5-15(19)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyFIFHHNJJJORRCP-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.75
Rot. Bonds5

About 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide

5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide (PubChem CID 74234706) has the molecular formula C18H16FN3O2S and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide
PubChem CID74234706
Molecular FormulaC18H16FN3O2S
Molecular Weight357.41 g/mol
Exact Mass357.09
IUPAC Name5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide
SMILESCC(=O)c1cc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1
InChIInChI=1S/C18H16FN3O2S/c1-11(23)16-7-13(10-25-16)18(24)22(2)9-14-8-20-21-17(14)12-3-5-15(19)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,21)
InChIKeyFIFHHNJJJORRCP-UHFFFAOYSA-N
XLogP3.75
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide (CID 74234706) is 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide is CC(=O)c1cc(C(=O)N(C)Cc2cn[nH]c2-c2ccc(F)cc2)cs1.
What is the InChIKey of 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide?
The InChIKey is FIFHHNJJJORRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2S/c1-11(23)16-7-13(10-25-16)18(24)22(2)9-14-8-20-21-17(14)12-3-5-15(19)6-4-12/h3-8,10H,9H2,1-2H3,(H,20,21).
What are the key properties of 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide?
5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 74234706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).