4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

C25H29ClN4O3 — CID 19398499

IUPAC4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C25H29ClN4O3/c1-5-11-27-25(32)23-21(14-30(6-2)29-23)28-24(31)19-9-7-18(8-10-19)15-33-20-12-16(3)22(26)17(4)13-20/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyPZONTEBJUHHNII-UHFFFAOYSA-N
MW468.99 g/mol
LogP5.14
Rot. Bonds9

About 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide

4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (PubChem CID 19398499) has the molecular formula C25H29ClN4O3 and a molecular weight of 468.99 g/mol. Its IUPAC name is 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
PubChem CID19398499
Molecular FormulaC25H29ClN4O3
Molecular Weight468.99 g/mol
Exact Mass468.19
IUPAC Name4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
SMILESCCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1
InChIInChI=1S/C25H29ClN4O3/c1-5-11-27-25(32)23-21(14-30(6-2)29-23)28-24(31)19-9-7-18(8-10-19)15-33-20-12-16(3)22(26)17(4)13-20/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,27,32)(H,28,31)
InChIKeyPZONTEBJUHHNII-UHFFFAOYSA-N
XLogP5.14
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.99
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404491
1-ethyl-4-[[3-[(3-methyl-4-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398428
1-ethyl-N-propyl-4-[[3-[(2,4,6-trichlorophenoxy)methyl]benzoyl]amino]pyrazole-3-carboxamide
CID 19398436
4-[[4-[(2,4-dichlorophenoxy)methyl]benzoyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402566
4-[[4-[(2,6-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-phenylpyrazole-3-carboxamide
CID 19404746
4-[[5-[(4-ethoxyphenoxy)methyl]furan-2-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398411
1-ethyl-4-[[5-[(3-methoxyphenoxy)methyl]furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398338
N-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzamide
CID 19284352
1-ethyl-4-[[5-(naphthalen-2-yloxymethyl)furan-2-carbonyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398380
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19409199
4-[[4-[(2-chloro-5-methylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400298
1-ethyl-4-[[3-[(4-methyl-2-nitrophenoxy)methyl]benzoyl]amino]-N-propylpyrazole-3-carboxamide
CID 19398503

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The IUPAC name of 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide (CID 19398499) is 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is CCCNC(=O)c1nn(CC)cc1NC(=O)c1ccc(COc2cc(C)c(Cl)c(C)c2)cc1.
What is the InChIKey of 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
The InChIKey is PZONTEBJUHHNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29ClN4O3/c1-5-11-27-25(32)23-21(14-30(6-2)29-23)28-24(31)19-9-7-18(8-10-19)15-33-20-12-16(3)22(26)17(4)13-20/h7-10,12-14H,5-6,11,15H2,1-4H3,(H,27,32)(H,28,31).
What are the key properties of 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide?
4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide has a molecular weight of 468.99 g/mol, XLogP of 5.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide is sourced from PubChem (CID 19398499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).