5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C22H30N4O2 — CID 91914453

IUPAC5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(CC)C(=O)N1CCc2[nH]nc(C(=O)NCCCc3ccccc3)c2C1
InChIInChI=1S/C22H30N4O2/c1-3-17(4-2)22(28)26-14-12-19-18(15-26)20(25-24-19)21(27)23-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHEEGRGGRKXROKM-UHFFFAOYSA-N
MW382.51 g/mol
LogP3.09
Rot. Bonds8

About 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91914453) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91914453
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCCC(CC)C(=O)N1CCc2[nH]nc(C(=O)NCCCc3ccccc3)c2C1
InChIInChI=1S/C22H30N4O2/c1-3-17(4-2)22(28)26-14-12-19-18(15-26)20(25-24-19)21(27)23-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,23,27)(H,24,25)
InChIKeyHEEGRGGRKXROKM-UHFFFAOYSA-N
XLogP3.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91914453) is 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is CCC(CC)C(=O)N1CCc2[nH]nc(C(=O)NCCCc3ccccc3)c2C1.
What is the InChIKey of 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is HEEGRGGRKXROKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-3-17(4-2)22(28)26-14-12-19-18(15-26)20(25-24-19)21(27)23-13-8-11-16-9-6-5-7-10-16/h5-7,9-10,17H,3-4,8,11-15H2,1-2H3,(H,23,27)(H,24,25).
What are the key properties of 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylbutanoyl)-N-(3-phenylpropyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91914453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).