3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide

C24H29N3O5 — CID 42879324

IUPAC3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-6-27-20(15-19(26-27)18-9-8-17(29-2)14-22(18)31-4)24(28)25-12-11-16-7-10-21(30-3)23(13-16)32-5/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,28)
InChIKeyCILONIHIJCLQFJ-UHFFFAOYSA-N
MW439.51 g/mol
LogP3.58
Rot. Bonds10

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

3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 42879324) has the molecular formula C24H29N3O5 and a molecular weight of 439.51 g/mol. Its IUPAC name is 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
PubChem CID42879324
Molecular FormulaC24H29N3O5
Molecular Weight439.51 g/mol
Exact Mass439.21
IUPAC Name3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C24H29N3O5/c1-6-27-20(15-19(26-27)18-9-8-17(29-2)14-22(18)31-4)24(28)25-12-11-16-7-10-21(30-3)23(13-16)32-5/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,28)
InChIKeyCILONIHIJCLQFJ-UHFFFAOYSA-N
XLogP3.58
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carboxamide
CID 42879358
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 3541559
3-(2,4-dimethoxyphenyl)-1-methyl-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 4567255
N-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-bis(4-methoxyphenyl)pyrazole-5-carboxamide
CID 5224331
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 3474124
1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)-N-(2-phenylethyl)pyrazole-5-carboxamide
CID 5028936
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2,5-dimethylphenyl)-3-(3-methoxyphenyl)pyrazole-5-carboxamide
CID 3577494
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(3,4-dimethylphenyl)-1-phenylpyrazole-5-carboxamide
CID 5178195
3-(2,4-dimethoxyphenyl)-N-(3-methoxypropyl)-1-phenylpyrazole-5-carboxamide
CID 3582112
3-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)-N-pentylpyrazole-5-carboxamide
CID 4679519
2-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methoxybenzamide
CID 110763510

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide (CID 42879324) is 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide is CCn1nc(-c2ccc(OC)cc2OC)cc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is CILONIHIJCLQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O5/c1-6-27-20(15-19(26-27)18-9-8-17(29-2)14-22(18)31-4)24(28)25-12-11-16-7-10-21(30-3)23(13-16)32-5/h7-10,13-15H,6,11-12H2,1-5H3,(H,25,28).
What are the key properties of 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide?
3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 439.51 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethoxyphenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 42879324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).