2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide

C18H15Cl2F4N5O — CID 19532389

About 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide (PubChem CID 19532389) has the molecular formula C18H15Cl2F4N5O and a molecular weight of 464.25 g/mol. Its IUPAC name is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide.

Molecular Properties

• Compound Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
• PubChem CID: 19532389
• Molecular Formula: C18H15Cl2F4N5O
• Molecular Weight: 464.25 g/mol
• Exact Mass: 463.06
• IUPAC Name: 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
• SMILES: CC(C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)n1nc(C(F)F)cc1C(F)F
• InChI: InChI=1S/C18H15Cl2F4N5O/c1-9(29-15(17(23)24)5-14(27-29)16(21)22)18(30)26-11-6-25-28(8-11)7-10-2-3-12(19)13(20)4-10/h2-6,8-9,16-17H,7H2,1H3,(H,26,30)
• InChIKey: OCWUGTGICPZFQB-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.25
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?

The IUPAC name of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide (CID 19532389) is 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide.

What is the SMILES notation for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?

The canonical SMILES for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide is CC(C(=O)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)n1nc(C(F)F)cc1C(F)F.

What is the InChIKey of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?

The InChIKey is OCWUGTGICPZFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2F4N5O/c1-9(29-15(17(23)24)5-14(27-29)16(21)22)18(30)26-11-6-25-28(8-11)7-10-2-3-12(19)13(20)4-10/h2-6,8-9,16-17H,7H2,1H3,(H,26,30).

What are the key properties of 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide?

2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide has a molecular weight of 464.25 g/mol, XLogP of 5.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]propanamide is sourced from PubChem (CID 19532389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).