3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

C27H28N4O3 — CID 3925006

IUPAC3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3cc(C)ccc3C)n2)c(OC)c1
InChIInChI=1S/C27H28N4O3/c1-18-8-9-19(2)24(15-18)31-25(27(32)29-14-12-20-7-5-6-13-28-20)17-23(30-31)22-11-10-21(33-3)16-26(22)34-4/h5-11,13,15-17H,12,14H2,1-4H3,(H,29,32)
InChIKeyZAKVWJJCWKUDMP-UHFFFAOYSA-N
MW456.55 g/mol
LogP4.54
Rot. Bonds8

About 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide

3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (PubChem CID 3925006) has the molecular formula C27H28N4O3 and a molecular weight of 456.55 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
PubChem CID3925006
Molecular FormulaC27H28N4O3
Molecular Weight456.55 g/mol
Exact Mass456.22
IUPAC Name3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3cc(C)ccc3C)n2)c(OC)c1
InChIInChI=1S/C27H28N4O3/c1-18-8-9-19(2)24(15-18)31-25(27(32)29-14-12-20-7-5-6-13-28-20)17-23(30-31)22-11-10-21(33-3)16-26(22)34-4/h5-11,13,15-17H,12,14H2,1-4H3,(H,29,32)
InChIKeyZAKVWJJCWKUDMP-UHFFFAOYSA-N
XLogP4.54
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.55
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42755416
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42762020
1-(2,4-dimethylphenyl)-3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 3348957
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(3-morpholin-4-ylpropyl)pyrazole-5-carboxamide
CID 42758958
2-(2,4-dimethoxyphenyl)-N-(2-pyridin-2-ylethyl)quinoline-4-carboxamide
CID 42749556
3-(2,4-dimethoxyphenyl)-1-(4-nitrophenyl)-N-(pyridin-2-ylmethyl)pyrazole-5-carboxamide
CID 4637468
1-(4-methoxyphenyl)-3-phenyl-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide
CID 42754625
N-benzyl-3-(2,4-dimethoxyphenyl)-N-[2-(dimethylamino)ethyl]-1-(2,5-dimethylphenyl)pyrazole-5-carboxamide
CID 3879204
N-butyl-3-(2,4-dimethoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42662540
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)-N-ethoxypyrazole-5-carboxamide
CID 4694065
N-cyclopropyl-3-(2,4-dimethoxyphenyl)-1-(2,4-dimethylphenyl)pyrazole-5-carboxamide
CID 42759053

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide (CID 3925006) is 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)NCCc3ccccn3)n(-c3cc(C)ccc3C)n2)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
The InChIKey is ZAKVWJJCWKUDMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3/c1-18-8-9-19(2)24(15-18)31-25(27(32)29-14-12-20-7-5-6-13-28-20)17-23(30-31)22-11-10-21(33-3)16-26(22)34-4/h5-11,13,15-17H,12,14H2,1-4H3,(H,29,32).
What are the key properties of 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide has a molecular weight of 456.55 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-1-(2,5-dimethylphenyl)-N-(2-pyridin-2-ylethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 3925006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).