1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine

C13H17FN6 — CID 154753623

IUPAC1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESF[C@H]1C[C@@H](CNCc2ccn[nH]2)N(c2cccnn2)C1
InChIInChI=1S/C13H17FN6/c14-10-6-12(8-15-7-11-3-5-17-18-11)20(9-10)13-2-1-4-16-19-13/h1-5,10,12,15H,6-9H2,(H,17,18)/t10-,12-/m0/s1
InChIKeyKRXHBOZMGBZIGG-JQWIXIFHSA-N
MW276.32 g/mol
LogP0.91
Rot. Bonds5

About 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine

1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine (PubChem CID 154753623) has the molecular formula C13H17FN6 and a molecular weight of 276.32 g/mol. Its IUPAC name is 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
PubChem CID154753623
Molecular FormulaC13H17FN6
Molecular Weight276.32 g/mol
Exact Mass276.15
IUPAC Name1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine
SMILESF[C@H]1C[C@@H](CNCc2ccn[nH]2)N(c2cccnn2)C1
InChIInChI=1S/C13H17FN6/c14-10-6-12(8-15-7-11-3-5-17-18-11)20(9-10)13-2-1-4-16-19-13/h1-5,10,12,15H,6-9H2,(H,17,18)/t10-,12-/m0/s1
InChIKeyKRXHBOZMGBZIGG-JQWIXIFHSA-N
XLogP0.91
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine with MolForge

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

Launch Full Analysis

Related Compounds

CID 44427084
CID 44427084
CID 75533110
CID 75533110
CID 174877201
CID 174877201
CID 176652807
CID 176652807
CID 128457185
CID 128457185
CID 130016011
CID 130016011
CID 135041066
CID 135041066
CID 54592586
CID 54592586
CID 81836935
CID 81836935
CID 91662768
CID 91662768
CID 112757997
CID 112757997
CID 115735751
CID 115735751

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The IUPAC name of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine (CID 154753623) is 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine is F[C@H]1C[C@@H](CNCc2ccn[nH]2)N(c2cccnn2)C1.
What is the InChIKey of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
The InChIKey is KRXHBOZMGBZIGG-JQWIXIFHSA-N. The full InChI is InChI=1S/C13H17FN6/c14-10-6-12(8-15-7-11-3-5-17-18-11)20(9-10)13-2-1-4-16-19-13/h1-5,10,12,15H,6-9H2,(H,17,18)/t10-,12-/m0/s1.
What are the key properties of 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine?
1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine has a molecular weight of 276.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S,4S)-4-fluoro-1-pyridazin-3-ylpyrrolidin-2-yl]-N-(1H-pyrazol-5-ylmethyl)methanamine is sourced from PubChem (CID 154753623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).