N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

C17H25FN4O — CID 74546109

IUPACN-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCCNC(=O)N1CCC2NNC(c3ccccc3F)C2C1
InChIInChI=1S/C17H25FN4O/c1-2-3-9-19-17(23)22-10-8-15-13(11-22)16(21-20-15)12-6-4-5-7-14(12)18/h4-7,13,15-16,20-21H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyJOJSJHNQHGQBIF-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.17
Rot. Bonds4

About N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide

N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 74546109) has the molecular formula C17H25FN4O and a molecular weight of 320.41 g/mol. Its IUPAC name is N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID74546109
Molecular FormulaC17H25FN4O
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC NameN-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCCCCNC(=O)N1CCC2NNC(c3ccccc3F)C2C1
InChIInChI=1S/C17H25FN4O/c1-2-3-9-19-17(23)22-10-8-15-13(11-22)16(21-20-15)12-6-4-5-7-14(12)18/h4-7,13,15-16,20-21H,2-3,8-11H2,1H3,(H,19,23)
InChIKeyJOJSJHNQHGQBIF-UHFFFAOYSA-N
XLogP2.17
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide (CID 74546109) is N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is CCCCNC(=O)N1CCC2NNC(c3ccccc3F)C2C1.
What is the InChIKey of N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is JOJSJHNQHGQBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN4O/c1-2-3-9-19-17(23)22-10-8-15-13(11-22)16(21-20-15)12-6-4-5-7-14(12)18/h4-7,13,15-16,20-21H,2-3,8-11H2,1H3,(H,19,23).
What are the key properties of N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide?
N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-(2-fluorophenyl)-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 74546109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).