2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide

C24H21ClF9N5O3 — CID 137481522

About 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide

2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide (PubChem CID 137481522) has the molecular formula C24H21ClF9N5O3 and a molecular weight of 633.90 g/mol. Its IUPAC name is 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide.

Molecular Properties

• Compound Name: 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide
• PubChem CID: 137481522
• Molecular Formula: C24H21ClF9N5O3
• Molecular Weight: 633.90 g/mol
• Exact Mass: 633.12
• IUPAC Name: 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide
• SMILES: CCOCN(C(=O)c1cc(-c2cnn(-c3c(OC(F)F)c(C(F)(C(F)(F)F)C(F)(F)F)nn3C)c2)ccc1Cl)C1CC1
• InChI: InChI=1S/C24H21ClF9N5O3/c1-3-41-11-38(14-5-6-14)20(40)15-8-12(4-7-16(15)25)13-9-35-39(10-13)19-17(42-21(26)27)18(36-37(19)2)22(28,23(29,30)31)24(32,33)34/h4,7-10,14,21H,3,5-6,11H2,1-2H3
• InChIKey: ZCWFQILPLCOUEU-UHFFFAOYSA-N
• XLogP: 6.42
• TPSA: 74.41 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.90
LogP ≤ 5	6.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide?

The IUPAC name of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide (CID 137481522) is 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide.

What is the SMILES notation for 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide?

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

What is the InChIKey of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide?

The InChIKey is ZCWFQILPLCOUEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClF9N5O3/c1-3-41-11-38(14-5-6-14)20(40)15-8-12(4-7-16(15)25)13-9-35-39(10-13)19-17(42-21(26)27)18(36-37(19)2)22(28,23(29,30)31)24(32,33)34/h4,7-10,14,21H,3,5-6,11H2,1-2H3.

What are the key properties of 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide?

2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide has a molecular weight of 633.90 g/mol, XLogP of 6.42, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-cyclopropyl-5-[1-[4-(difluoromethoxy)-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1-methylpyrazol-5-yl]pyrazol-4-yl]-N-(ethoxymethyl)benzamide is sourced from PubChem (CID 137481522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).