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

C19H18BrF2N5O — CID 19403958

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

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 19403958) has the molecular formula C19H18BrF2N5O and a molecular weight of 450.29 g/mol. Its IUPAC name is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
• PubChem CID: 19403958
• Molecular Formula: C19H18BrF2N5O
• Molecular Weight: 450.29 g/mol
• Exact Mass: 449.07
• IUPAC Name: N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide
• SMILES: O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(Br)cc2)c1
• InChI: InChI=1S/C19H18BrF2N5O/c20-14-5-1-12(2-6-14)9-26-10-15(8-23-26)24-18(28)11-27-17(13-3-4-13)7-16(25-27)19(21)22/h1-2,5-8,10,13,19H,3-4,9,11H2,(H,24,28)
• InChIKey: XVGIVPLRNCNDQS-UHFFFAOYSA-N
• XLogP: 4.34
• TPSA: 64.74 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.29
LogP ≤ 5	4.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide (CID 19403958) is N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide.

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

The canonical SMILES for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is O=C(Cn1nc(C(F)F)cc1C1CC1)Nc1cnn(Cc2ccc(Br)cc2)c1.

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

The InChIKey is XVGIVPLRNCNDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2N5O/c20-14-5-1-12(2-6-14)9-26-10-15(8-23-26)24-18(28)11-27-17(13-3-4-13)7-16(25-27)19(21)22/h1-2,5-8,10,13,19H,3-4,9,11H2,(H,24,28).

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

N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 450.29 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 19403958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).