N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

C19H15Cl2N5O2S — CID 60620776

About N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide

N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (PubChem CID 60620776) has the molecular formula C19H15Cl2N5O2S and a molecular weight of 448.34 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• PubChem CID: 60620776
• Molecular Formula: C19H15Cl2N5O2S
• Molecular Weight: 448.34 g/mol
• Exact Mass: 447.03
• IUPAC Name: N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
• SMILES: Cn1ccnc1SCc1ccc(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)o1
• InChI: InChI=1S/C19H15Cl2N5O2S/c1-26-5-4-22-19(26)29-10-14-2-3-16(28-14)18(27)23-17-9-15(24-25-17)11-6-12(20)8-13(21)7-11/h2-9H,10H2,1H3,(H2,23,24,25,27)
• InChIKey: LHVYUCSWSGLXHL-UHFFFAOYSA-N
• XLogP: 5.25
• TPSA: 88.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	448.34
LogP ≤ 5	5.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The IUPAC name of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide (CID 60620776) is N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide.

What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is Cn1ccnc1SCc1ccc(C(=O)Nc2cc(-c3cc(Cl)cc(Cl)c3)[nH]n2)o1.

What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

The InChIKey is LHVYUCSWSGLXHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5O2S/c1-26-5-4-22-19(26)29-10-14-2-3-16(28-14)18(27)23-17-9-15(24-25-17)11-6-12(20)8-13(21)7-11/h2-9H,10H2,1H3,(H2,23,24,25,27).

What are the key properties of N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide?

N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide has a molecular weight of 448.34 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(3,5-dichlorophenyl)-1H-pyrazol-3-yl]-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide is sourced from PubChem (CID 60620776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).