1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C21H27N3O3 — CID 56711135

IUPAC1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)CC(C)c1ccccc1)C2
InChIInChI=1S/C21H27N3O3/c1-14(2)12-24-18-9-10-23(13-17(18)20(22-24)21(26)27)19(25)11-15(3)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,26,27)
InChIKeyZFAGMPWMUYMCFJ-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.32
Rot. Bonds6

About 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 56711135) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID56711135
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)CC(C)c1ccccc1)C2
InChIInChI=1S/C21H27N3O3/c1-14(2)12-24-18-9-10-23(13-17(18)20(22-24)21(26)27)19(25)11-15(3)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,26,27)
InChIKeyZFAGMPWMUYMCFJ-UHFFFAOYSA-N
XLogP3.32
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 56711135) is 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is CC(C)Cn1nc(C(=O)O)c2c1CCN(C(=O)CC(C)c1ccccc1)C2.
What is the InChIKey of 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is ZFAGMPWMUYMCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-14(2)12-24-18-9-10-23(13-17(18)20(22-24)21(26)27)19(25)11-15(3)16-7-5-4-6-8-16/h4-8,14-15H,9-13H2,1-3H3,(H,26,27).
What are the key properties of 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 369.47 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(3-phenylbutanoyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 56711135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).