3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide

C21H23N3O3 — CID 4567255

IUPAC3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(C)n2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-24-19(21(25)22-12-11-15-7-5-4-6-8-15)14-18(23-24)17-10-9-16(26-2)13-20(17)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyBWBNNBXVYOGWTC-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.08
Rot. Bonds7

About 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide (PubChem CID 4567255) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
PubChem CID4567255
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(C)n2)c(OC)c1
InChIInChI=1S/C21H23N3O3/c1-24-19(21(25)22-12-11-15-7-5-4-6-8-15)14-18(23-24)17-10-9-16(26-2)13-20(17)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25)
InChIKeyBWBNNBXVYOGWTC-UHFFFAOYSA-N
XLogP3.08
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 42879324
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(2-piperidin-1-ylethyl)pyrazole-5-carboxamide
CID 4679626
3-(2,4-dimethoxyphenyl)-1-phenyl-N-(4-phenylbutan-2-yl)pyrazole-5-carboxamide
CID 4262770
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
2-[3-(2,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(2-phenylethyl)acetamide
CID 7666583
3-(3-methoxyphenyl)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121088682
N-benzyl-3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)pyrazole-5-carboxamide
CID 3332427

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide (CID 4567255) is 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccc3)n(C)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
The InChIKey is BWBNNBXVYOGWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-24-19(21(25)22-12-11-15-7-5-4-6-8-15)14-18(23-24)17-10-9-16(26-2)13-20(17)27-3/h4-10,13-14H,11-12H2,1-3H3,(H,22,25).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide has a molecular weight of 365.43 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4567255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).