2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide

C21H17ClF7N5O2 — CID 130357101

About 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide

2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide (PubChem CID 130357101) has the molecular formula C21H17ClF7N5O2 and a molecular weight of 539.84 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide.

Molecular Properties

• Compound Name: 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide
• PubChem CID: 130357101
• Molecular Formula: C21H17ClF7N5O2
• Molecular Weight: 539.84 g/mol
• Exact Mass: 539.10
• IUPAC Name: 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide
• SMILES: CN(C(=O)c1cc(-c2cnn(-c3c(OC(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)ccc1Cl)C1CC1
• InChI: InChI=1S/C21H17ClF7N5O2/c1-32(12-4-5-12)18(35)13-7-10(3-6-14(13)22)11-8-30-34(9-11)17-15(36-19(23)24)16(31-33(17)2)20(25,26)21(27,28)29/h3,6-9,12,19H,4-5H2,1-2H3
• InChIKey: XMGPPJAZSQSCMF-UHFFFAOYSA-N
• XLogP: 5.42
• TPSA: 65.18 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	539.84
LogP ≤ 5	5.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide?

The IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide (CID 130357101) is 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide.

What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide?

The canonical SMILES for 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide is CN(C(=O)c1cc(-c2cnn(-c3c(OC(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)ccc1Cl)C1CC1.

What is the InChIKey of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide?

The InChIKey is XMGPPJAZSQSCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClF7N5O2/c1-32(12-4-5-12)18(35)13-7-10(3-6-14(13)22)11-8-30-34(9-11)17-15(36-19(23)24)16(31-33(17)2)20(25,26)21(27,28)29/h3,6-9,12,19H,4-5H2,1-2H3.

What are the key properties of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide?

2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide has a molecular weight of 539.84 g/mol, XLogP of 5.42, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N-methylbenzamide is sourced from PubChem (CID 130357101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).