2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide

C22H15Cl2F9N6O2 — CID 129305917

About 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide

2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide (PubChem CID 129305917) has the molecular formula C22H15Cl2F9N6O2 and a molecular weight of 637.29 g/mol. Its IUPAC name is 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

• Compound Name: 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide
• PubChem CID: 129305917
• Molecular Formula: C22H15Cl2F9N6O2
• Molecular Weight: 637.29 g/mol
• Exact Mass: 636.05
• IUPAC Name: 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide
• SMILES: Cn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(C2=C(Cl)C=C(Cl)C(C(=O)NC3(C#N)CC3)C2)cn1
• InChI: InChI=1S/C22H15Cl2F9N6O2/c1-38-17(14(20(26,27)28)16(37-38)41-22(32,33)18(25)21(29,30)31)39-7-9(6-35-39)10-4-11(13(24)5-12(10)23)15(40)36-19(8-34)2-3-19/h5-7,11,18H,2-4H2,1H3,(H,36,40)
• InChIKey: CYCMGJJBWUAIBV-UHFFFAOYSA-N
• XLogP: 5.76
• TPSA: 97.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	637.29
LogP ≤ 5	5.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide?

The IUPAC name of 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide (CID 129305917) is 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide.

What is the SMILES notation for 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide?

The canonical SMILES for 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide is Cn1nc(OC(F)(F)C(F)C(F)(F)F)c(C(F)(F)F)c1-n1cc(C2=C(Cl)C=C(Cl)C(C(=O)NC3(C#N)CC3)C2)cn1.

What is the InChIKey of 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide?

The InChIKey is CYCMGJJBWUAIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15Cl2F9N6O2/c1-38-17(14(20(26,27)28)16(37-38)41-22(32,33)18(25)21(29,30)31)39-7-9(6-35-39)10-4-11(13(24)5-12(10)23)15(40)36-19(8-34)2-3-19/h5-7,11,18H,2-4H2,1H3,(H,36,40).

What are the key properties of 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide?

2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 637.29 g/mol, XLogP of 5.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dichloro-N-(1-cyanocyclopropyl)-5-[1-[3-(1,1,2,3,3,3-hexafluoropropoxy)-1-methyl-4-(trifluoromethyl)pyrazol-5-yl]pyrazol-4-yl]cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 129305917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).