5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide

C20H25Cl2N3O3 — CID 86806324

IUPAC5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
SMILESCCOCCOCCN(C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C20H25Cl2N3O3/c1-3-27-10-11-28-9-8-24(2)20(26)16-13-23-25(19(16)14-4-5-14)18-7-6-15(21)12-17(18)22/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyIOCHUHKLTCJFGI-UHFFFAOYSA-N
MW426.34 g/mol
LogP4.18
Rot. Bonds10

About 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide

5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide (PubChem CID 86806324) has the molecular formula C20H25Cl2N3O3 and a molecular weight of 426.34 g/mol. Its IUPAC name is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
PubChem CID86806324
Molecular FormulaC20H25Cl2N3O3
Molecular Weight426.34 g/mol
Exact Mass425.13
IUPAC Name5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide
SMILESCCOCCOCCN(C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1
InChIInChI=1S/C20H25Cl2N3O3/c1-3-27-10-11-28-9-8-24(2)20(26)16-13-23-25(19(16)14-4-5-14)18-7-6-15(21)12-17(18)22/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyIOCHUHKLTCJFGI-UHFFFAOYSA-N
XLogP4.18
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide (CID 86806324) is 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide is CCOCCOCCN(C)C(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide?
The InChIKey is IOCHUHKLTCJFGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O3/c1-3-27-10-11-28-9-8-24(2)20(26)16-13-23-25(19(16)14-4-5-14)18-7-6-15(21)12-17(18)22/h6-7,12-14H,3-5,8-11H2,1-2H3.
What are the key properties of 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide?
5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide has a molecular weight of 426.34 g/mol, XLogP of 4.18, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-(2,4-dichlorophenyl)-N-[2-(2-ethoxyethoxy)ethyl]-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 86806324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).