1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine

C13H17FN4 — CID 62138261

IUPAC1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine
SMILESCCN(CCn1cc(N)cn1)c1ccccc1F
InChIInChI=1S/C13H17FN4/c1-2-17(13-6-4-3-5-12(13)14)7-8-18-10-11(15)9-16-18/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyLKORMLPSKWTGMW-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.13
Rot. Bonds5

About 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine

1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine (PubChem CID 62138261) has the molecular formula C13H17FN4 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine
PubChem CID62138261
Molecular FormulaC13H17FN4
Molecular Weight248.31 g/mol
Exact Mass248.14
IUPAC Name1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine
SMILESCCN(CCn1cc(N)cn1)c1ccccc1F
InChIInChI=1S/C13H17FN4/c1-2-17(13-6-4-3-5-12(13)14)7-8-18-10-11(15)9-16-18/h3-6,9-10H,2,7-8,15H2,1H3
InChIKeyLKORMLPSKWTGMW-UHFFFAOYSA-N
XLogP2.13
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(N-ethyl-2-fluoroanilino)ethyl]triazole-4-carbohydrazide
CID 63583992
N'-ethyl-N'-(2-fluorophenyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291267
1-[2-[butyl(ethyl)amino]ethyl]pyrazol-4-amine
CID 62136981
1-[2-(dibutylamino)ethyl]pyrazol-4-amine
CID 62138066
1-[2-[ethyl(2-methoxyethyl)amino]ethyl]pyrazol-4-amine
CID 62138819
2-[2-(4-aminopyrazol-1-yl)ethyl-ethylamino]acetamide
CID 103101391
N-[2-(4-aminopyrazol-1-yl)ethyl]-2,6-difluorobenzamide
CID 115319778
N'-ethyl-N'-(2-fluorophenyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62618774
1-(4-chlorophenyl)-N'-ethyl-N'-(2-fluorophenyl)propane-1,3-diamine
CID 63493331
3-(N-ethyl-2-fluoroanilino)propanehydrazide
CID 63583064
2-[2-(N-ethyl-2-fluoroanilino)ethoxy]propanethioamide
CID 114266238
1-[2-(4-fluorophenyl)ethyl]pyrazol-4-amine
CID 83532506

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine?
The IUPAC name of 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine (CID 62138261) is 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine is CCN(CCn1cc(N)cn1)c1ccccc1F.
What is the InChIKey of 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine?
The InChIKey is LKORMLPSKWTGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4/c1-2-17(13-6-4-3-5-12(13)14)7-8-18-10-11(15)9-16-18/h3-6,9-10H,2,7-8,15H2,1H3.
What are the key properties of 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine?
1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine has a molecular weight of 248.31 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-2-fluoroanilino)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62138261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).