N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C16H21FN4O — CID 86303376

IUPACN'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2COC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-20(7-6-18)8-13-9-21(15-10-22-11-15)19-16(13)12-2-4-14(17)5-3-12/h2-5,9,15H,6-8,10-11,18H2,1H3
InChIKeyZGALZMXVDREGPW-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.65
Rot. Bonds6

About N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86303376) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86303376
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC NameN'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn(C2COC2)nc1-c1ccc(F)cc1
InChIInChI=1S/C16H21FN4O/c1-20(7-6-18)8-13-9-21(15-10-22-11-15)19-16(13)12-2-4-14(17)5-3-12/h2-5,9,15H,6-8,10-11,18H2,1H3
InChIKeyZGALZMXVDREGPW-UHFFFAOYSA-N
XLogP1.65
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86303376) is N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn(C2COC2)nc1-c1ccc(F)cc1.
What is the InChIKey of N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is ZGALZMXVDREGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-20(7-6-18)8-13-9-21(15-10-22-11-15)19-16(13)12-2-4-14(17)5-3-12/h2-5,9,15H,6-8,10-11,18H2,1H3.
What are the key properties of N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 304.37 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[3-(4-fluorophenyl)-1-(oxetan-3-yl)pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86303376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).