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

C13H16F2N4 — CID 86303686

IUPACN'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyUUXUFPJPTHXYLB-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds5

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

N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (PubChem CID 86303686) has the molecular formula C13H16F2N4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
PubChem CID86303686
Molecular FormulaC13H16F2N4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
SMILESCN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18)
InChIKeyUUXUFPJPTHXYLB-UHFFFAOYSA-N
XLogP1.75
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-methylethanamine
CID 25282068
[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methanamine
CID 79488160
N'-[[5-(2,4-dichlorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303534
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 70757308
N'-[[5-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303839
N'-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86303532
(1S)-N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-methyl-1-pyrimidin-4-ylethanamine
CID 29210748
N'-methyl-N'-[(5-methyl-1H-pyrazol-4-yl)methyl]ethane-1,2-diamine
CID 162144971
N-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N-ethyl-2-pyrazol-1-ylethanamine
CID 42289115
N'-[[5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine
CID 86301219
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

Frequently Asked Questions

What is the IUPAC name of N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The IUPAC name of N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine (CID 86303686) is N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is CN(CCN)Cc1cn[nH]c1-c1ccc(F)cc1F.
What is the InChIKey of N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
The InChIKey is UUXUFPJPTHXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N4/c1-19(5-4-16)8-9-7-17-18-13(9)11-3-2-10(14)6-12(11)15/h2-3,6-7H,4-5,8,16H2,1H3,(H,17,18).
What are the key properties of N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine?
N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine has a molecular weight of 266.30 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[[5-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl]-N'-methylethane-1,2-diamine is sourced from PubChem (CID 86303686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).