4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

C24H26Cl2N4O3 — CID 19402566

IUPAC4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C24H26Cl2N4O3/c1-4-30-13-20(22(29-30)24(32)27-12-15(2)3)28-23(31)17-7-5-16(6-8-17)14-33-21-10-9-18(25)11-19(21)26/h5-11,13,15H,4,12,14H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyXQGPUMRUCUNXLS-UHFFFAOYSA-N
MW489.40 g/mol
LogP5.43
Rot. Bonds9

About 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide

4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (PubChem CID 19402566) has the molecular formula C24H26Cl2N4O3 and a molecular weight of 489.40 g/mol. Its IUPAC name is 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
PubChem CID19402566
Molecular FormulaC24H26Cl2N4O3
Molecular Weight489.40 g/mol
Exact Mass488.14
IUPAC Name4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
SMILESCCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C24H26Cl2N4O3/c1-4-30-13-20(22(29-30)24(32)27-12-15(2)3)28-23(31)17-7-5-16(6-8-17)14-33-21-10-9-18(25)11-19(21)26/h5-11,13,15H,4,12,14H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyXQGPUMRUCUNXLS-UHFFFAOYSA-N
XLogP5.43
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.40
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[4-[(4-bromo-2-chlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404736
4-[[3-[(2,4-difluorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402628
4-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]-1-ethylpyrazole-3-carboxamide
CID 19412480
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340094
1-ethyl-4-[(4-methoxy-3-nitrobenzoyl)amino]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402551
4-[[1-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19280369
4-[[4-[(2-chloro-5-methylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400298
4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398499
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
4-[(3-chlorophenyl)carbamoylamino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19448033
propan-2-yl 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404491
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396247

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The IUPAC name of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide (CID 19402566) is 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
The InChIKey is XQGPUMRUCUNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26Cl2N4O3/c1-4-30-13-20(22(29-30)24(32)27-12-15(2)3)28-23(31)17-7-5-16(6-8-17)14-33-21-10-9-18(25)11-19(21)26/h5-11,13,15H,4,12,14H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide?
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide has a molecular weight of 489.40 g/mol, XLogP of 5.43, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19402566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).