N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C21H20FN5OS — CID 55954503

About N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 55954503) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• PubChem CID: 55954503
• Molecular Formula: C21H20FN5OS
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.14
• IUPAC Name: N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
• SMILES: CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(-c2cccs2)[nH]n1
• InChI: InChI=1S/C21H20FN5OS/c1-27(21(28)19-13-18(25-26-19)20-8-4-10-29-20)9-3-7-16-12-17(24-23-16)14-5-2-6-15(22)11-14/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,23,24)(H,25,26)
• InChIKey: QLNHBOWMIQGMEC-UHFFFAOYSA-N
• XLogP: 4.37
• TPSA: 77.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	4.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 55954503) is N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is CN(CCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)c1cc(-c2cccs2)[nH]n1.

What is the InChIKey of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

The InChIKey is QLNHBOWMIQGMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-27(21(28)19-13-18(25-26-19)20-8-4-10-29-20)9-3-7-16-12-17(24-23-16)14-5-2-6-15(22)11-14/h2,4-6,8,10-13H,3,7,9H2,1H3,(H,23,24)(H,25,26).

What are the key properties of N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?

N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55954503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).