5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid

C24H21N3O5 — CID 23364588

IUPAC5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
SMILESCNC(=O)c1ccc(-n2nc(C(=O)O)cc2-c2c(OC)cccc2OC)c2ccccc12
InChIInChI=1S/C24H21N3O5/c1-25-23(28)16-11-12-18(15-8-5-4-7-14(15)16)27-19(13-17(26-27)24(29)30)22-20(31-2)9-6-10-21(22)32-3/h4-13H,1-3H3,(H,25,28)(H,29,30)
InChIKeyAPGGIEGXISSUMR-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.77
Rot. Bonds6

About 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid

5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid (PubChem CID 23364588) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
PubChem CID23364588
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid
SMILESCNC(=O)c1ccc(-n2nc(C(=O)O)cc2-c2c(OC)cccc2OC)c2ccccc12
InChIInChI=1S/C24H21N3O5/c1-25-23(28)16-11-12-18(15-8-5-4-7-14(15)16)27-19(13-17(26-27)24(29)30)22-20(31-2)9-6-10-21(22)32-3/h4-13H,1-3H3,(H,25,28)(H,29,30)
InChIKeyAPGGIEGXISSUMR-UHFFFAOYSA-N
XLogP3.77
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid?
The IUPAC name of 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid (CID 23364588) is 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid?
The canonical SMILES for 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid is CNC(=O)c1ccc(-n2nc(C(=O)O)cc2-c2c(OC)cccc2OC)c2ccccc12.
What is the InChIKey of 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid?
The InChIKey is APGGIEGXISSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-25-23(28)16-11-12-18(15-8-5-4-7-14(15)16)27-19(13-17(26-27)24(29)30)22-20(31-2)9-6-10-21(22)32-3/h4-13H,1-3H3,(H,25,28)(H,29,30).
What are the key properties of 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid?
5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid has a molecular weight of 431.45 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethoxyphenyl)-1-[4-(methylcarbamoyl)naphthalen-1-yl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 23364588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).