N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

C15H19FN4 — CID 86301219

IUPACN'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1/C=C/c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-20(8-7-17)11-13-10-18-19-15(13)6-5-12-3-2-4-14(16)9-12/h2-6,9-10H,7-8,11,17H2,1H3,(H,18,19)/b6-5+
InChIKeyGAKUSISDAKTWHX-AATRIKPKSA-N
MW274.34 g/mol
LogP2.11
Rot. Bonds6

About N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine

N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86301219) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86301219
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1/C=C/c1cccc(F)c1
InChIInChI=1S/C15H19FN4/c1-20(8-7-17)11-13-10-18-19-15(13)6-5-12-3-2-4-14(16)9-12/h2-6,9-10H,7-8,11,17H2,1H3,(H,18,19)/b6-5+
InChIKeyGAKUSISDAKTWHX-AATRIKPKSA-N
XLogP2.11
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine with MolForge

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Related Compounds

N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303686
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
3-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]benzonitrile
CID 86303224
N'-methyl-N'-[(5-propyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 86301376
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
1-fluoro-3-[(E)-2-(4-fluorophenyl)ethenyl]benzene
CID 11148621
(E)-N-[3-[benzyl(methyl)amino]propyl]-3-(3-fluorophenyl)prop-2-enamide
CID 46540605
N'-[[5-[(3E,5E)-5-fluorohepta-3,5-dien-3-yl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 129210460
N-[4-[4-[[2-aminoethyl(methyl)amino]methyl]-1H-pyrazol-5-yl]phenyl]acetamide
CID 90433935
N'-[(2,6-difluorophenyl)methyl]-N'-methylethane-1,2-diamine
CID 62682578
N'-benzyl-N'-methylethane-1,2-diamine
CID 3014812

Frequently Asked Questions

What is the IUPAC name of N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86301219) is N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1/C=C/c1cccc(F)c1.
What is the InChIKey of N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is GAKUSISDAKTWHX-AATRIKPKSA-N. The full InChI is InChI=1S/C15H19FN4/c1-20(8-7-17)11-13-10-18-19-15(13)6-5-12-3-2-4-14(16)9-12/h2-6,9-10H,7-8,11,17H2,1H3,(H,18,19)/b6-5+.
What are the key properties of N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86301219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).