N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C13H17FN4 — CID 86304614

IUPACN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyWJJPSVIYQWOSFK-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.61
Rot. Bonds5

About N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86304614) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86304614
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC NameN'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1
InChIInChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17)
InChIKeyWJJPSVIYQWOSFK-UHFFFAOYSA-N
XLogP1.61
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86304614) is N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1.
What is the InChIKey of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is WJJPSVIYQWOSFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-18(7-6-15)9-11-8-16-17-13(11)10-2-4-12(14)5-3-10/h2-5,8H,6-7,9,15H2,1H3,(H,16,17).
What are the key properties of N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 248.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86304614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).