N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine

C14H19FN4 — CID 82865395

IUPACN'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCn1ccc(CN(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C14H19FN4/c1-18-9-6-13(17-18)11-19(8-3-7-16)14-5-2-4-12(15)10-14/h2,4-6,9-10H,3,7-8,11,16H2,1H3
InChIKeyJHFYPGOURCZPND-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.91
Rot. Bonds6

About N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine

N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (PubChem CID 82865395) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
PubChem CID82865395
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine
SMILESCn1ccc(CN(CCCN)c2cccc(F)c2)n1
InChIInChI=1S/C14H19FN4/c1-18-9-6-13(17-18)11-19(8-3-7-16)14-5-2-4-12(15)10-14/h2,4-6,9-10H,3,7-8,11,16H2,1H3
InChIKeyJHFYPGOURCZPND-UHFFFAOYSA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine 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'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine (CID 82865395) is N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine is Cn1ccc(CN(CCCN)c2cccc(F)c2)n1.
What is the InChIKey of N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
The InChIKey is JHFYPGOURCZPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-18-9-6-13(17-18)11-19(8-3-7-16)14-5-2-4-12(15)10-14/h2,4-6,9-10H,3,7-8,11,16H2,1H3.
What are the key properties of N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine?
N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine has a molecular weight of 262.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluorophenyl)-N'-[(1-methylpyrazol-3-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 82865395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).