N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

C15H17N5O2 — CID 82585402

IUPACN-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C15H17N5O2/c1-9(21)17-10-2-4-11(5-3-10)18-15(22)14-12-8-16-7-6-13(12)19-20-14/h2-5,16H,6-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyCXWBLZLSPIJIKN-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.27
Rot. Bonds3

About N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 82585402) has the molecular formula C15H17N5O2 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID82585402
Molecular FormulaC15H17N5O2
Molecular Weight299.33 g/mol
Exact Mass299.14
IUPAC NameN-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1
InChIInChI=1S/C15H17N5O2/c1-9(21)17-10-2-4-11(5-3-10)18-15(22)14-12-8-16-7-6-13(12)19-20-14/h2-5,16H,6-8H2,1H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyCXWBLZLSPIJIKN-UHFFFAOYSA-N
XLogP1.27
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 82585402) is N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is CC(=O)Nc1ccc(NC(=O)c2n[nH]c3c2CNCC3)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is CXWBLZLSPIJIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O2/c1-9(21)17-10-2-4-11(5-3-10)18-15(22)14-12-8-16-7-6-13(12)19-20-14/h2-5,16H,6-8H2,1H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide?
N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 82585402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).