N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide

C20H19Cl2N3O2 — CID 91047147

IUPACN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-13-18(12-24-25(13)16-5-7-17(27-2)8-6-16)20(26)23-10-9-14-3-4-15(21)11-19(14)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeySMWYAUKVSZHGML-UHFFFAOYSA-N
MW404.30 g/mol
LogP4.47
Rot. Bonds6

About N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide

N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide (PubChem CID 91047147) has the molecular formula C20H19Cl2N3O2 and a molecular weight of 404.30 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
PubChem CID91047147
Molecular FormulaC20H19Cl2N3O2
Molecular Weight404.30 g/mol
Exact Mass403.09
IUPAC NameN-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
SMILESCOc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2C)cc1
InChIInChI=1S/C20H19Cl2N3O2/c1-13-18(12-24-25(13)16-5-7-17(27-2)8-6-16)20(26)23-10-9-14-3-4-15(21)11-19(14)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26)
InChIKeySMWYAUKVSZHGML-UHFFFAOYSA-N
XLogP4.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 91440664
1-(4-methoxyphenyl)-5-methyl-N-[2-(2-methylphenyl)ethyl]pyrazole-4-carboxamide
CID 91528734
N-[2-(4-chlorophenoxy)ethyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39627748
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-methoxyphenyl)urea
CID 108991031
1-(4-chlorophenyl)-N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 24629688
1-(4-methoxyphenyl)-5-methyl-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42818182
1-(4-chlorophenyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-propylpyrazole-4-carboxamide
CID 90739672
2-[2-(2,4-dichlorophenyl)ethylamino]-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 109005315
N-[2-(2,4-dichlorophenyl)ethyl]-2-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]acetamide
CID 8587776
5-amino-N-[2-(2,4-dichlorophenyl)ethyl]-2-methylpyridine-3-carboxamide
CID 61038721
2-(2-chloro-4-methoxyphenyl)ethylcarbamic acid
CID 115171143
2,5-dichloro-N-[2-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 114917183

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide (CID 91047147) is N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide is COc1ccc(-n2ncc(C(=O)NCCc3ccc(Cl)cc3Cl)c2C)cc1.
What is the InChIKey of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is SMWYAUKVSZHGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O2/c1-13-18(12-24-25(13)16-5-7-17(27-2)8-6-16)20(26)23-10-9-14-3-4-15(21)11-19(14)22/h3-8,11-12H,9-10H2,1-2H3,(H,23,26).
What are the key properties of N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide?
N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 404.30 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenyl)ethyl]-1-(4-methoxyphenyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 91047147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).