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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Related Compounds

N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
Tert-butyl 4-[1-(2-chlorophenyl)-4-(morpholine-4-carbonyl)pyrazol-5-yl]piperidine-1-carboxylate
CID 16023737
[1-(3-Chlorophenyl)-5-ethylpyrazol-4-yl]-(2-methylmorpholin-4-yl)methanone
CID 45875179
1-(3,5-dichlorophenyl)-N-[3-(dimethylamino)propyl]-5-propylpyrazole-4-carboxamide
CID 172434144
[1-(3,5-Dichlorophenyl)-5-propylpyrazol-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 172434999
1-(3,5-dichlorophenyl)-N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-propylpyrazole-4-carboxamide
CID 172437985
[1-(2-Chlorophenyl)-5-propylpyrazol-4-yl]-morpholin-4-ylmethanone
CID 8073989
[1-(2-Chlorophenyl)-5-propylpyrazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 8074228
1-(2-chlorophenyl)-N-cyclopropyl-5-propan-2-ylpyrazole-4-carboxamide
CID 8078877
1-(4-Chlorophenyl)-N-(2-methylpropyl)-5-(propan-2-YL)-1H-pyrazole-4-carboxamide
CID 37665497
Ethyl 1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]piperidine-3-carboxylate
CID 45980269

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).