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

C23H21Cl2N5O2 — CID 19275078

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

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19275078) has the molecular formula C23H21Cl2N5O2 and a molecular weight of 470.36 g/mol. Its IUPAC name is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
• PubChem CID: 19275078
• Molecular Formula: C23H21Cl2N5O2
• Molecular Weight: 470.36 g/mol
• Exact Mass: 469.11
• IUPAC Name: N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide
• SMILES: Cc1ccc(OCn2ccc(C(=O)Nc3nn(Cc4ccccc4Cl)cc3Cl)n2)c(C)c1
• InChI: InChI=1S/C23H21Cl2N5O2/c1-15-7-8-21(16(2)11-15)32-14-29-10-9-20(27-29)23(31)26-22-19(25)13-30(28-22)12-17-5-3-4-6-18(17)24/h3-11,13H,12,14H2,1-2H3,(H,26,28,31)
• InChIKey: BPORBWVMDHNAGZ-UHFFFAOYSA-N
• XLogP: 5.34
• TPSA: 73.97 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	470.36
LogP ≤ 5	5.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CID 19275078) is N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

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

The canonical SMILES for N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is Cc1ccc(OCn2ccc(C(=O)Nc3nn(Cc4ccccc4Cl)cc3Cl)n2)c(C)c1.

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

The InChIKey is BPORBWVMDHNAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O2/c1-15-7-8-21(16(2)11-15)32-14-29-10-9-20(27-29)23(31)26-22-19(25)13-30(28-22)12-17-5-3-4-6-18(17)24/h3-11,13H,12,14H2,1-2H3,(H,26,28,31).

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

N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 470.36 g/mol, XLogP of 5.34, 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-chlorophenyl)methyl]pyrazol-3-yl]-1-[(2,4-dimethylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19275078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).