5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid

C32H31N7O3 — CID 159471272

IUPAC5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(N)=O)cc3c21
InChIInChI=1S/C16H16N4O.C16H15N3O2/c1-16(2)6-9-7-18-20-13(9)14-12(16)10-5-8(15(17)21)3-4-11(10)19-14;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14/h3-5,7,19H,6H2,1-2H3,(H2,17,21)(H,18,20);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyLVVLUDBAVUFPCU-UHFFFAOYSA-N
MW561.65 g/mol
LogP5.58
Rot. Bonds2

About 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid

5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid (PubChem CID 159471272) has the molecular formula C32H31N7O3 and a molecular weight of 561.65 g/mol. Its IUPAC name is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid.

Molecular Properties

Compound Name5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid
PubChem CID159471272
Molecular FormulaC32H31N7O3
Molecular Weight561.65 g/mol
Exact Mass561.25
IUPAC Name5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid
SMILESCC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(N)=O)cc3c21
InChIInChI=1S/C16H16N4O.C16H15N3O2/c1-16(2)6-9-7-18-20-13(9)14-12(16)10-5-8(15(17)21)3-4-11(10)19-14;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14/h3-5,7,19H,6H2,1-2H3,(H2,17,21)(H,18,20);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21)
InChIKeyLVVLUDBAVUFPCU-UHFFFAOYSA-N
XLogP5.58
TPSA169.33 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500561.65
LogP ≤ 55.58
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid with MolForge

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Related Compounds

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CID 45377007
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CID 22417966

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid?
The IUPAC name of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid (CID 159471272) is 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid.
What is the SMILES notation for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid?
The canonical SMILES for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid is CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(=O)O)cc3c21.CC1(C)Cc2cn[nH]c2-c2[nH]c3ccc(C(N)=O)cc3c21.
What is the InChIKey of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid?
The InChIKey is LVVLUDBAVUFPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O.C16H15N3O2/c1-16(2)6-9-7-18-20-13(9)14-12(16)10-5-8(15(17)21)3-4-11(10)19-14;1-16(2)6-9-7-17-19-13(9)14-12(16)10-5-8(15(20)21)3-4-11(10)18-14/h3-5,7,19H,6H2,1-2H3,(H2,17,21)(H,18,20);3-5,7,18H,6H2,1-2H3,(H,17,19)(H,20,21).
What are the key properties of 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid?
5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid has a molecular weight of 561.65 g/mol, XLogP of 5.58, 2 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxamide;5,5-dimethyl-4,10-dihydro-1H-pyrazolo[5,4-a]carbazole-7-carboxylic acid is sourced from PubChem (CID 159471272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).