1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

C22H19Cl2N5O2 — CID 19277824

About 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide

1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19277824) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• PubChem CID: 19277824
• Molecular Formula: C22H19Cl2N5O2
• Molecular Weight: 456.33 g/mol
• Exact Mass: 455.09
• IUPAC Name: 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• SMILES: Cc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)n1
• InChI: InChI=1S/C22H19Cl2N5O2/c1-15-11-18(24)5-6-20(15)31-14-29-9-7-19(26-29)22(30)25-21-8-10-28(27-21)13-16-3-2-4-17(23)12-16/h2-12H,13-14H2,1H3,(H,25,27,30)
• InChIKey: GSKNXKNLGMVGPQ-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.33
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19277824) is 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is Cc1cc(Cl)ccc1OCn1ccc(C(=O)Nc2ccn(Cc3cccc(Cl)c3)n2)n1.

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

The InChIKey is GSKNXKNLGMVGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c1-15-11-18(24)5-6-20(15)31-14-29-9-7-19(26-29)22(30)25-21-8-10-28(27-21)13-16-3-2-4-17(23)12-16/h2-12H,13-14H2,1H3,(H,25,27,30).

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

1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 456.33 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19277824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).