5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

C25H22Cl2N6O3 — CID 164765642

About 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide

5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (PubChem CID 164765642) has the molecular formula C25H22Cl2N6O3 and a molecular weight of 525.40 g/mol. Its IUPAC name is 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
• PubChem CID: 164765642
• Molecular Formula: C25H22Cl2N6O3
• Molecular Weight: 525.40 g/mol
• Exact Mass: 524.11
• IUPAC Name: 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide
• SMILES: CC1(n2nc(-c3ccc(CC(=O)Nc4cc(-c5ccc(Cl)cc5Cl)no4)cc3)c(C(N)=O)c2N)CC1
• InChI: InChI=1S/C25H22Cl2N6O3/c1-25(8-9-25)33-23(28)21(24(29)35)22(31-33)14-4-2-13(3-5-14)10-19(34)30-20-12-18(32-36-20)16-7-6-15(26)11-17(16)27/h2-7,11-12H,8-10,28H2,1H3,(H2,29,35)(H,30,34)
• InChIKey: CQOLLIBZKPTPMA-UHFFFAOYSA-N
• XLogP: 4.88
• TPSA: 142.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	525.40
LogP ≤ 5	4.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The IUPAC name of 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide (CID 164765642) is 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is CC1(n2nc(-c3ccc(CC(=O)Nc4cc(-c5ccc(Cl)cc5Cl)no4)cc3)c(C(N)=O)c2N)CC1.

What is the InChIKey of 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

The InChIKey is CQOLLIBZKPTPMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22Cl2N6O3/c1-25(8-9-25)33-23(28)21(24(29)35)22(31-33)14-4-2-13(3-5-14)10-19(34)30-20-12-18(32-36-20)16-7-6-15(26)11-17(16)27/h2-7,11-12H,8-10,28H2,1H3,(H2,29,35)(H,30,34).

What are the key properties of 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide?

5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide has a molecular weight of 525.40 g/mol, XLogP of 4.88, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-3-[4-[2-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]amino]-2-oxoethyl]phenyl]-1-(1-methylcyclopropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 164765642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).