N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

C26H20ClN3O2S — CID 19498924

About N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (PubChem CID 19498924) has the molecular formula C26H20ClN3O2S and a molecular weight of 473.99 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
• PubChem CID: 19498924
• Molecular Formula: C26H20ClN3O2S
• Molecular Weight: 473.99 g/mol
• Exact Mass: 473.10
• IUPAC Name: N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cc(COc2ccc3ccccc3c2)cs1
• InChI: InChI=1S/C26H20ClN3O2S/c27-22-8-5-18(6-9-22)15-30-12-11-25(29-30)28-26(31)24-13-19(17-33-24)16-32-23-10-7-20-3-1-2-4-21(20)14-23/h1-14,17H,15-16H2,(H,28,29,31)
• InChIKey: JEVHACMMVSRQRI-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 56.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	473.99
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide (CID 19498924) is N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)c1cc(COc2ccc3ccccc3c2)cs1.

What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

The InChIKey is JEVHACMMVSRQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClN3O2S/c27-22-8-5-18(6-9-22)15-30-12-11-25(29-30)28-26(31)24-13-19(17-33-24)16-32-23-10-7-20-3-1-2-4-21(20)14-23/h1-14,17H,15-16H2,(H,28,29,31).

What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide?

N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide has a molecular weight of 473.99 g/mol, XLogP of 6.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-(naphthalen-2-yloxymethyl)thiophene-2-carboxamide is sourced from PubChem (CID 19498924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).