3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide

C23H21N5O4 — CID 122302383

IUPAC3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cnc(Oc4ccccc4)nc3)n(C)n2)c1
InChIInChI=1S/C23H21N5O4/c1-28-20(12-19(27-28)18-11-17(30-2)9-10-21(18)31-3)22(29)26-15-13-24-23(25-14-15)32-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,26,29)
InChIKeyYPXDWUBELCEUAG-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.94
Rot. Bonds7

About 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide

3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide (PubChem CID 122302383) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
PubChem CID122302383
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)Nc3cnc(Oc4ccccc4)nc3)n(C)n2)c1
InChIInChI=1S/C23H21N5O4/c1-28-20(12-19(27-28)18-11-17(30-2)9-10-21(18)31-3)22(29)26-15-13-24-23(25-14-15)32-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,26,29)
InChIKeyYPXDWUBELCEUAG-UHFFFAOYSA-N
XLogP3.94
TPSA100.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(6-pyrrol-1-ylpyridazin-3-yl)oxyphenyl]pyrazole-5-carboxamide
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3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
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3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-(2-oxopiperidin-1-yl)phenyl]pyrazole-5-carboxamide
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3,4,5-trimethoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302212
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-oxo-1,3-dihydroindol-5-yl)pyrazole-5-carboxamide
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3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]pyrazole-5-carboxamide
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3-(2,5-dimethoxyphenyl)-1-methyl-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]pyrazole-5-carboxamide
CID 122287834
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 121083972
3-(2,5-dimethoxyphenyl)-1-methyl-N-(4-pyrimidin-2-yloxycyclohexyl)pyrazole-5-carboxamide
CID 90633367
[3-(2,5-dimethoxyphenyl)-1-methylpyrazol-5-yl]-(4-phenylpiperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide?
The IUPAC name of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide (CID 122302383) is 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide?
The canonical SMILES for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)Nc3cnc(Oc4ccccc4)nc3)n(C)n2)c1.
What is the InChIKey of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide?
The InChIKey is YPXDWUBELCEUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-28-20(12-19(27-28)18-11-17(30-2)9-10-21(18)31-3)22(29)26-15-13-24-23(25-14-15)32-16-7-5-4-6-8-16/h4-14H,1-3H3,(H,26,29).
What are the key properties of 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide?
3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide has a molecular weight of 431.45 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethoxyphenyl)-1-methyl-N-(2-phenoxypyrimidin-5-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 122302383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).