3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

C20H22Cl3N5O — CID 19337696

About 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (PubChem CID 19337696) has the molecular formula C20H22Cl3N5O and a molecular weight of 454.79 g/mol. Its IUPAC name is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
• PubChem CID: 19337696
• Molecular Formula: C20H22Cl3N5O
• Molecular Weight: 454.79 g/mol
• Exact Mass: 453.09
• IUPAC Name: 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
• SMILES: Cc1nn(CCC(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(C)c1Cl
• InChI: InChI=1S/C20H22Cl3N5O/c1-11-19(23)13(3)27(25-11)9-8-18(29)24-20-12(2)26-28(14(20)4)10-15-16(21)6-5-7-17(15)22/h5-7H,8-10H2,1-4H3,(H,24,29)
• InChIKey: UNMNQNBPPCSSLG-UHFFFAOYSA-N
• XLogP: 5.35
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	454.79
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?

The IUPAC name of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide (CID 19337696) is 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide.

What is the SMILES notation for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?

The canonical SMILES for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is Cc1nn(CCC(=O)Nc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c(C)c1Cl.

What is the InChIKey of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?

The InChIKey is UNMNQNBPPCSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl3N5O/c1-11-19(23)13(3)27(25-11)9-8-18(29)24-20-12(2)26-28(14(20)4)10-15-16(21)6-5-7-17(15)22/h5-7H,8-10H2,1-4H3,(H,24,29).

What are the key properties of 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide?

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide has a molecular weight of 454.79 g/mol, XLogP of 5.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide is sourced from PubChem (CID 19337696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).