N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

C21H15Cl4N5O2 — CID 19265237

About N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19265237) has the molecular formula C21H15Cl4N5O2 and a molecular weight of 511.20 g/mol. Its IUPAC name is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19265237
• Molecular Formula: C21H15Cl4N5O2
• Molecular Weight: 511.20 g/mol
• Exact Mass: 509.00
• IUPAC Name: N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccn(COc2ccccc2Cl)n1
• InChI: InChI=1S/C21H15Cl4N5O2/c22-14-6-5-13(16(24)9-14)10-30-11-17(25)20(28-30)26-21(31)18-7-8-29(27-18)12-32-19-4-2-1-3-15(19)23/h1-9,11H,10,12H2,(H,26,28,31)
• InChIKey: YAWINAFFFRVXBV-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	511.20
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19265237) is N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is O=C(Nc1nn(Cc2ccc(Cl)cc2Cl)cc1Cl)c1ccn(COc2ccccc2Cl)n1.

What is the InChIKey of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?

The InChIKey is YAWINAFFFRVXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl4N5O2/c22-14-6-5-13(16(24)9-14)10-30-11-17(25)20(28-30)26-21(31)18-7-8-29(27-18)12-32-19-4-2-1-3-15(19)23/h1-9,11H,10,12H2,(H,26,28,31).

What are the key properties of N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?

N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 511.20 g/mol, XLogP of 6.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19265237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).