3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

C22H26N4O4 — CID 71796642

IUPAC3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C
InChIInChI=1S/C22H26N4O4/c1-25-20(14-19(24-25)18-13-17(29-3)5-6-21(18)30-4)22(27)26(11-12-28-2)15-16-7-9-23-10-8-16/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyPCTNVBPHTNCFFG-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.79
Rot. Bonds9

About 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (PubChem CID 71796642) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
PubChem CID71796642
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide
SMILESCOCCN(Cc1ccncc1)C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C
InChIInChI=1S/C22H26N4O4/c1-25-20(14-19(24-25)18-13-17(29-3)5-6-21(18)30-4)22(27)26(11-12-28-2)15-16-7-9-23-10-8-16/h5-10,13-14H,11-12,15H2,1-4H3
InChIKeyPCTNVBPHTNCFFG-UHFFFAOYSA-N
XLogP2.79
TPSA78.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
3-(2,5-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121084117
N-(cyclohexylmethyl)-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121083958
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-3-(2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 121137872
N-(2-methoxyethyl)-1,6-dimethyl-N-(pyridin-4-ylmethyl)indole-2-carboxamide
CID 77090268
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(3-pyridin-4-yloxypiperidin-1-yl)methanone
CID 122255848
3-(2,5-dimethoxyphenyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-1-methylpyrazole-5-carboxamide
CID 121122834
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]pyrazole-5-carboxamide
CID 122288870
3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(6-methyl-3-pyridinyl)oxy]but-2-ynyl]pyrazole-5-carboxamide
CID 90579434
3-(2,5-dimethoxyphenyl)-N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-1-methylpyrazole-5-carboxamide
CID 121120921
3-(2,4-dimethoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 3333611

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide (CID 71796642) is 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is COCCN(Cc1ccncc1)C(=O)c1cc(-c2cc(OC)ccc2OC)nn1C.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
The InChIKey is PCTNVBPHTNCFFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-25-20(14-19(24-25)18-13-17(29-3)5-6-21(18)30-4)22(27)26(11-12-28-2)15-16-7-9-23-10-8-16/h5-10,13-14H,11-12,15H2,1-4H3.
What are the key properties of 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 2.79, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-N-(2-methoxyethyl)-1-methyl-N-(pyridin-4-ylmethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 71796642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).