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

C21H17Cl2N5O2 — CID 19285545

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

2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (PubChem CID 19285545) has the molecular formula C21H17Cl2N5O2 and a molecular weight of 442.31 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• PubChem CID: 19285545
• Molecular Formula: C21H17Cl2N5O2
• Molecular Weight: 442.31 g/mol
• Exact Mass: 441.08
• IUPAC Name: 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide
• SMILES: O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccnn1COc1ccc(Cl)cc1
• InChI: InChI=1S/C21H17Cl2N5O2/c22-16-5-7-17(8-6-16)30-14-28-19(9-11-24-28)21(29)25-20-10-12-27(26-20)13-15-3-1-2-4-18(15)23/h1-12H,13-14H2,(H,25,26,29)
• InChIKey: AOEHOIOKWXMGCZ-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.31
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide (CID 19285545) is 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide.

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

The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccnn1COc1ccc(Cl)cc1.

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

The InChIKey is AOEHOIOKWXMGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O2/c22-16-5-7-17(8-6-16)30-14-28-19(9-11-24-28)21(29)25-20-10-12-27(26-20)13-15-3-1-2-4-18(15)23/h1-12H,13-14H2,(H,25,26,29).

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

2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide has a molecular weight of 442.31 g/mol, XLogP of 4.72, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-chlorophenoxy)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 19285545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).