5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

C24H26Cl2N4O3 — CID 108746038

IUPAC5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H26Cl2N4O3/c1-3-29(4-2)24(32)19-16-27-30(18-9-6-5-7-10-18)23(19)28-22(31)11-8-14-33-21-13-12-17(25)15-20(21)26/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,28,31)
InChIKeyDHNKQMHCABJIJF-UHFFFAOYSA-N
MW489.40 g/mol
LogP5.46
Rot. Bonds10

About 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide

5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108746038) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
PubChem CID108746038
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Name5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C24H26Cl2N4O3/c1-3-29(4-2)24(32)19-16-27-30(18-9-6-5-7-10-18)23(19)28-22(31)11-8-14-33-21-13-12-17(25)15-20(21)26/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,28,31)
InChIKeyDHNKQMHCABJIJF-UHFFFAOYSA-N
XLogP5.46
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-5-[(5-oxo-5-phenylpentanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746111
5-[(4-chlorobenzoyl)amino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide
CID 108768336
butyl N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]carbamate
CID 108746083
N-[4-(diethylcarbamoyl)-1-phenylpyrazol-5-yl]pyridine-2-carboxamide
CID 108746061
N,N-diethyl-5-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746120
ethyl 5-[2-(2,4-dichlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 5014321
4-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)butanamide
CID 2838387
4-(2,4-dichlorophenoxy)-N',N'-diphenylbutanehydrazide
CID 2227481
N,N-diethyl-5-[(5-methylfuran-2-carbonyl)amino]-1-phenylpyrazole-4-carboxamide
CID 108746142
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918
ethyl 5-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-phenylpyrazole-4-carboxylate
CID 19456865
ethyl 5-[(2,4-dichlorobenzoyl)amino]-1-phenylpyrazole-4-carboxylate
CID 4547350

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide (CID 108746038) is 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is CCN(CC)C(=O)c1cnn(-c2ccccc2)c1NC(=O)CCCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is DHNKQMHCABJIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-3-29(4-2)24(32)19-16-27-30(18-9-6-5-7-10-18)23(19)28-22(31)11-8-14-33-21-13-12-17(25)15-20(21)26/h5-7,9-10,12-13,15-16H,3-4,8,11,14H2,1-2H3,(H,28,31).
What are the key properties of 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide?
5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 5.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dichlorophenoxy)butanoylamino]-N,N-diethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108746038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).