3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide

C22H23N7O3 — CID 71808230

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCn3ccnc3-c3ncccn3)n(C)n2)c1
InChIInChI=1S/C22H23N7O3/c1-28-18(14-17(27-28)16-13-15(31-2)5-6-19(16)32-3)22(30)26-10-12-29-11-9-25-21(29)20-23-7-4-8-24-20/h4-9,11,13-14H,10,12H2,1-3H3,(H,26,30)
InChIKeyAUFWHVAZKJAICJ-UHFFFAOYSA-N
MW433.47 g/mol
LogP2.19
Rot. Bonds8

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 71808230) has the molecular formula C22H23N7O3 and a molecular weight of 433.47 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide
PubChem CID71808230
Molecular FormulaC22H23N7O3
Molecular Weight433.47 g/mol
Exact Mass433.19
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)NCCn3ccnc3-c3ncccn3)n(C)n2)c1
InChIInChI=1S/C22H23N7O3/c1-28-18(14-17(27-28)16-13-15(31-2)5-6-19(16)32-3)22(30)26-10-12-29-11-9-25-21(29)20-23-7-4-8-24-20/h4-9,11,13-14H,10,12H2,1-3H3,(H,26,30)
InChIKeyAUFWHVAZKJAICJ-UHFFFAOYSA-N
XLogP2.19
TPSA108.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

4-(7-(1-(2-(Dimethylamino)ethyl)-1H-pyrazol-4-yl)imidazo[1,2-a]pyridin-3-yl)-2-((3-fluorobenzyl)oxy)benzamide
CID 137636872
4-(azetidine-1-carbonyl)-N-[2-[3-(fluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-methylpyrazole-5-carboxamide
CID 57378844
5-N-[2-[3-(fluoromethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468453
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 53468648
4-(azetidine-1-carbonyl)-N-[2-[4-(3-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288529
4-(azetidine-1-carbonyl)-N-[2-[4-(2-methoxyphenyl)-1-methylimidazol-2-yl]ethyl]-1-methylpyrazole-5-carboxamide
CID 71288530
5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N-(2-methoxyethyl)-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381454
4-N-[2-(2-fluoroethoxy)ethyl]-5-N-[2-[3-(2-fluoroethoxy)phenyl]imidazo[1,2-a]pyrimidin-7-yl]-4-N,1-dimethylpyrazole-4,5-dicarboxamide
CID 87381553
15-[1-[2-(Dimethylamino)ethyl]pyrazol-4-yl]-11-oxa-3,4,6,19,24-pentazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2,4,12(17),13,15,20,22-octaen-18-one
CID 142411827
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(3-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378494
4-(azetidine-1-carbonyl)-2-methyl-2H-pyrazole-3-carboxylic acid [2-(2-methoxy-phenyl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-amide
CID 57378960
1-(4-benzoylpiperazin-1-yl)-2-[4-[3-(2-methoxyphenyl)pyrazol-1-yl]-5H-pyrrolo[3,2-d]pyrimidin-7-yl]ethane-1,2-dione
CID 25024497

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide (CID 71808230) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)NCCn3ccnc3-c3ncccn3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is AUFWHVAZKJAICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O3/c1-28-18(14-17(27-28)16-13-15(31-2)5-6-19(16)32-3)22(30)26-10-12-29-11-9-25-21(29)20-23-7-4-8-24-20/h4-9,11,13-14H,10,12H2,1-3H3,(H,26,30).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-[2-(2-pyrimidin-2-ylimidazol-1-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71808230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).