3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

C20H19Cl2N3O3 — CID 19510063

IUPAC3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1
InChIInChI=1S/C20H19Cl2N3O3/c1-11(15-9-13(27-2)5-7-19(15)28-3)23-20(26)18-10-17(24-25-18)14-6-4-12(21)8-16(14)22/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyJWMBEFCDHULAOE-UHFFFAOYSA-N
MW420.30 g/mol
LogP4.89
Rot. Bonds6

About 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 19510063) has the molecular formula C20H19Cl2N3O3 and a molecular weight of 420.30 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID19510063
Molecular FormulaC20H19Cl2N3O3
Molecular Weight420.30 g/mol
Exact Mass419.08
IUPAC Name3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1
InChIInChI=1S/C20H19Cl2N3O3/c1-11(15-9-13(27-2)5-7-19(15)28-3)23-20(26)18-10-17(24-25-18)14-6-4-12(21)8-16(14)22/h4-11H,1-3H3,(H,23,26)(H,24,25)
InChIKeyJWMBEFCDHULAOE-UHFFFAOYSA-N
XLogP4.89
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.30
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,5-dimethoxyphenyl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 45355171
5-chloro-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methoxybenzamide
CID 39854287
N-butan-2-yl-3-(2,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19510030
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-4-fluorobenzamide
CID 880770
2-(3-chloro-4-fluorophenoxy)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 9229558
[2-[[(1R)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl] 2-amino-5-chlorobenzoate
CID 8806776
N-[1-(2,5-dimethoxyphenyl)ethyl]-2,5-dimethoxybenzamide
CID 18116626
3-(2,4-dichlorophenyl)-N-(4-ethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509972
3-(2,5-dimethoxyphenyl)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124862464
3-(2,5-dimethoxyphenyl)-N-(1-hydroxy-3-methylpentan-2-yl)-1H-pyrazole-5-carboxamide
CID 91822295

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 19510063) is 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccc(OC)c(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3Cl)n[nH]2)c1.
What is the InChIKey of 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JWMBEFCDHULAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19Cl2N3O3/c1-11(15-9-13(27-2)5-7-19(15)28-3)23-20(26)18-10-17(24-25-18)14-6-4-12(21)8-16(14)22/h4-11H,1-3H3,(H,23,26)(H,24,25).
What are the key properties of 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 420.30 g/mol, XLogP of 4.89, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19510063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).