N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C24H28ClN3O4 — CID 122598450

IUPACN-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C(C)C)nn2C)c(OC)c1
InChIInChI=1S/C24H28ClN3O4/c1-15(2)20-12-21(27(3)26-20)24(30)28(13-16-6-9-22(29)19(25)10-16)14-17-7-8-18(31-4)11-23(17)32-5/h6-12,15,29H,13-14H2,1-5H3
InChIKeyJFGQBUITLPVHFG-UHFFFAOYSA-N
MW457.96 g/mol
LogP4.76
Rot. Bonds8

About N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 122598450) has the molecular formula C24H28ClN3O4 and a molecular weight of 457.96 g/mol. Its IUPAC name is N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID122598450
Molecular FormulaC24H28ClN3O4
Molecular Weight457.96 g/mol
Exact Mass457.18
IUPAC NameN-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCOc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C(C)C)nn2C)c(OC)c1
InChIInChI=1S/C24H28ClN3O4/c1-15(2)20-12-21(27(3)26-20)24(30)28(13-16-6-9-22(29)19(25)10-16)14-17-7-8-18(31-4)11-23(17)32-5/h6-12,15,29H,13-14H2,1-5H3
InChIKeyJFGQBUITLPVHFG-UHFFFAOYSA-N
XLogP4.76
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.96
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-chloro-4-hydroxyphenyl)methyl]-3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 122598486
N-[(3-chloro-5-methoxy-4-propoxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598595
N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 122598460
3-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-methoxy-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598551
N-[[2-(dimethylamino)-5,8-dimethoxyquinolin-3-yl]methyl]-N-[(4-methoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 26330353
3-cyclopropyl-N-[(2,4-dimethoxyphenyl)methyl]-N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-1-methylpyrazole-5-carboxamide
CID 122598513
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
1-[(4-methoxyphenyl)methyl]-3-propan-2-ylpyrazole-5-carboxylic acid
CID 82306829
(2R)-2-[(2,4-dimethoxyphenyl)methyl-methylamino]-N-ethylpropanamide
CID 8845701
N-[(2,4-dichlorophenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-2-pyrrol-1-ylbenzamide
CID 20760414
N-[(2,4-dimethoxyphenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115140783
2-(3,4-dichlorophenyl)-N-[1-(2,4-dimethoxyphenyl)ethyl]acetamide
CID 55580869

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 122598450) is N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is COc1ccc(CN(Cc2ccc(O)c(Cl)c2)C(=O)c2cc(C(C)C)nn2C)c(OC)c1.
What is the InChIKey of N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is JFGQBUITLPVHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClN3O4/c1-15(2)20-12-21(27(3)26-20)24(30)28(13-16-6-9-22(29)19(25)10-16)14-17-7-8-18(31-4)11-23(17)32-5/h6-12,15,29H,13-14H2,1-5H3.
What are the key properties of N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 457.96 g/mol, XLogP of 4.76, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-hydroxyphenyl)methyl]-N-[(2,4-dimethoxyphenyl)methyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 122598450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).