4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide

C22H22Cl2N4O3 — CID 19396247

IUPAC4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cnn1C
InChIInChI=1S/C22H22Cl2N4O3/c1-3-10-25-22(30)20-18(12-26-28(20)2)27-21(29)15-6-4-14(5-7-15)13-31-19-9-8-16(23)11-17(19)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyBXAOGUBPUNTRBW-UHFFFAOYSA-N
MW461.35 g/mol
LogP4.70
Rot. Bonds8

About 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide

4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide (PubChem CID 19396247) has the molecular formula C22H22Cl2N4O3 and a molecular weight of 461.35 g/mol. Its IUPAC name is 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
PubChem CID19396247
Molecular FormulaC22H22Cl2N4O3
Molecular Weight461.35 g/mol
Exact Mass460.11
IUPAC Name4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
SMILESCCCNC(=O)c1c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cnn1C
InChIInChI=1S/C22H22Cl2N4O3/c1-3-10-25-22(30)20-18(12-26-28(20)2)27-21(29)15-6-4-14(5-7-15)13-31-19-9-8-16(23)11-17(19)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,30)(H,27,29)
InChIKeyBXAOGUBPUNTRBW-UHFFFAOYSA-N
XLogP4.70
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.35
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-dichlorophenoxy)methyl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]benzamide
CID 19571726
4-[[4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396338
4-[[4-[(3-chlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-(2-methylpropyl)pyrazole-5-carboxamide
CID 19341922
4-[(2,4-dichlorophenoxy)methyl]-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 19292553
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
1-methyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396344
4-[[4-(difluoromethoxy)-3-methoxybenzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396289
4-[(2,4-dichlorophenoxy)methyl]-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340094
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402566
1-methyl-4-[[4-[(4-nitropyrazol-1-yl)methyl]benzoyl]amino]-N-propylpyrazole-5-carboxamide
CID 19396173
4-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396346
4-[[4-[(2-bromophenoxy)methyl]benzoyl]amino]-1-methylpyrazole-5-carboxylic acid
CID 19405997

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The IUPAC name of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide (CID 19396247) is 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide is CCCNC(=O)c1c(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)cc2)cnn1C.
What is the InChIKey of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
The InChIKey is BXAOGUBPUNTRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22Cl2N4O3/c1-3-10-25-22(30)20-18(12-26-28(20)2)27-21(29)15-6-4-14(5-7-15)13-31-19-9-8-16(23)11-17(19)24/h4-9,11-12H,3,10,13H2,1-2H3,(H,25,30)(H,27,29).
What are the key properties of 4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide?
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-methyl-N-propylpyrazole-5-carboxamide has a molecular weight of 461.35 g/mol, XLogP of 4.70, 8 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-methyl-N-propylpyrazole-5-carboxamide is sourced from PubChem (CID 19396247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).