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

C19H17Cl2F2N5O — CID 19530415

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

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide (PubChem CID 19530415) has the molecular formula C19H17Cl2F2N5O and a molecular weight of 440.28 g/mol. Its IUPAC name is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide.

Molecular Properties

• Compound Name: 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
• PubChem CID: 19530415
• Molecular Formula: C19H17Cl2F2N5O
• Molecular Weight: 440.28 g/mol
• Exact Mass: 439.08
• IUPAC Name: 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide
• SMILES: O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1
• InChI: InChI=1S/C19H17Cl2F2N5O/c20-14-4-1-11(5-15(14)21)8-27-9-13(7-24-27)25-18(29)10-28-17(19(22)23)6-16(26-28)12-2-3-12/h1,4-7,9,12,19H,2-3,8,10H2,(H,25,29)
• InChIKey: RBPMEDULBUPKQB-UHFFFAOYSA-N
• XLogP: 4.89
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	440.28
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide (CID 19530415) is 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide.

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

The canonical SMILES for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide is O=C(Cn1nc(C2CC2)cc1C(F)F)Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1.

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

The InChIKey is RBPMEDULBUPKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2F2N5O/c20-14-4-1-11(5-15(14)21)8-27-9-13(7-24-27)25-18(29)10-28-17(19(22)23)6-16(26-28)12-2-3-12/h1,4-7,9,12,19H,2-3,8,10H2,(H,25,29).

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

2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide has a molecular weight of 440.28 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-cyclopropyl-5-(difluoromethyl)pyrazol-1-yl]-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]acetamide is sourced from PubChem (CID 19530415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).