1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine

C13H16FN3 — CID 43543392

IUPAC1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2cccc(F)c2)cn1
InChIInChI=1S/C13H16FN3/c1-3-17-9-13(8-15-17)16-10(2)11-5-4-6-12(14)7-11/h4-10,16H,3H2,1-2H3
InChIKeyZHAJVJJIEWXDDL-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.22
Rot. Bonds4

About 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine

1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine (PubChem CID 43543392) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
PubChem CID43543392
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine
SMILESCCn1cc(NC(C)c2cccc(F)c2)cn1
InChIInChI=1S/C13H16FN3/c1-3-17-9-13(8-15-17)16-10(2)11-5-4-6-12(14)7-11/h4-10,16H,3H2,1-2H3
InChIKeyZHAJVJJIEWXDDL-UHFFFAOYSA-N
XLogP3.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzenesulfonamide
CID 43776942
N-[1-(3-fluorophenyl)ethyl]-1-(oxolan-2-ylmethyl)pyrazol-4-amine
CID 43745597
4-[1-[(1-ethylpyrazol-4-yl)amino]ethyl]benzonitrile
CID 43543489
1-ethyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]pyrazol-4-amine
CID 81472831
2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
CID 103570268
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]pyrazol-4-amine
CID 115922678
1-ethyl-N-[1-(4-nitrophenyl)ethyl]pyrazol-4-amine
CID 43543267
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
1-ethyl-N-(1-phenylbutyl)pyrazol-4-amine
CID 43543366
N-[1-(2,4-dibromophenyl)ethyl]-1-ethylpyrazol-4-amine
CID 60781763
ethyl 2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)acetate
CID 103569901
1-(3-fluorophenyl)-N-(2-pyrazol-1-ylethyl)ethanamine
CID 56828853

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine (CID 43543392) is 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine is CCn1cc(NC(C)c2cccc(F)c2)cn1.
What is the InChIKey of 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine?
The InChIKey is ZHAJVJJIEWXDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-3-17-9-13(8-15-17)16-10(2)11-5-4-6-12(14)7-11/h4-10,16H,3H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine?
1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine has a molecular weight of 233.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-(3-fluorophenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 43543392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).