N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

C18H25N5O — CID 84614119

About N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 84614119) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• PubChem CID: 84614119
• Molecular Formula: C18H25N5O
• Molecular Weight: 327.43 g/mol
• Exact Mass: 327.21
• IUPAC Name: N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide
• SMILES: Cc1ccc(N2CCc3c(c(C(=O)NCCN)nn3C)C2)cc1C
• InChI: InChI=1S/C18H25N5O/c1-12-4-5-14(10-13(12)2)23-9-6-16-15(11-23)17(21-22(16)3)18(24)20-8-7-19/h4-5,10H,6-9,11,19H2,1-3H3,(H,20,24)
• InChIKey: FLTJIIZSAXUENI-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 76.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	327.43
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The IUPAC name of N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide (CID 84614119) is N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide.

What is the SMILES notation for N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The canonical SMILES for N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccc(N2CCc3c(c(C(=O)NCCN)nn3C)C2)cc1C.

What is the InChIKey of N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

The InChIKey is FLTJIIZSAXUENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-4-5-14(10-13(12)2)23-9-6-16-15(11-23)17(21-22(16)3)18(24)20-8-7-19/h4-5,10H,6-9,11,19H2,1-3H3,(H,20,24).

What are the key properties of N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide?

N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-5-(3,4-dimethylphenyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 84614119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).