N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

C14H19FN4 — CID 115291267

IUPACN'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H19FN4/c1-3-19(14-7-5-4-6-12(14)15)10-13(16)11-8-17-18(2)9-11/h4-9,13H,3,10,16H2,1-2H3
InChIKeyJZJACQQOFKRQPN-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.09
Rot. Bonds5

About N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine

N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (PubChem CID 115291267) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
PubChem CID115291267
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC NameN'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
SMILESCCN(CC(N)c1cnn(C)c1)c1ccccc1F
InChIInChI=1S/C14H19FN4/c1-3-19(14-7-5-4-6-12(14)15)10-13(16)11-8-17-18(2)9-11/h4-9,13H,3,10,16H2,1-2H3
InChIKeyJZJACQQOFKRQPN-UHFFFAOYSA-N
XLogP2.09
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-ethyl-N'-(4-methylphenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291264
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 115291144
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine
CID 62138261
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324
1-N-ethyl-1-N-(2-fluorophenyl)-4-methoxybutane-1,2-diamine
CID 62478003
2-amino-N-ethyl-N-(2-methylphenyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289599
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine (CID 115291267) is N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is CCN(CC(N)c1cnn(C)c1)c1ccccc1F.
What is the InChIKey of N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
The InChIKey is JZJACQQOFKRQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-19(14-7-5-4-6-12(14)15)10-13(16)11-8-17-18(2)9-11/h4-9,13H,3,10,16H2,1-2H3.
What are the key properties of N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine?
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine has a molecular weight of 262.33 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 115291267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).