10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid

C24H23N3O3 — CID 71276808

IUPAC10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid
SMILESCOc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1
InChIInChI=1S/C24H23N3O3/c1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14/h4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29)
InChIKeyGGFUGUFYEVCEKR-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.62
Rot. Bonds4

About 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid

10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid (PubChem CID 71276808) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid.

Molecular Properties

Compound Name10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid
PubChem CID71276808
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid
SMILESCOc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1
InChIInChI=1S/C24H23N3O3/c1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14/h4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29)
InChIKeyGGFUGUFYEVCEKR-UHFFFAOYSA-N
XLogP4.62
TPSA80.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid?
The IUPAC name of 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid (CID 71276808) is 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid.
What is the SMILES notation for 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid?
The canonical SMILES for 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid is COc1ccc(Cn2c3c(c4cc(C(=O)O)ccc42)C(C)(C)Cc2cn[nH]c2-3)cc1.
What is the InChIKey of 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid?
The InChIKey is GGFUGUFYEVCEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-24(2)11-16-12-25-26-21(16)22-20(24)18-10-15(23(28)29)6-9-19(18)27(22)13-14-4-7-17(30-3)8-5-14/h4-10,12H,11,13H2,1-3H3,(H,25,26)(H,28,29).
What are the key properties of 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid?
10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid has a molecular weight of 401.47 g/mol, XLogP of 4.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(4-methoxyphenyl)methyl]-5,5-dimethyl-1,4-dihydropyrazolo[5,4-a]carbazole-7-carboxylic acid is sourced from PubChem (CID 71276808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).