1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine

C12H14FN3 — CID 70981434

IUPAC1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cnn(C)c2)c1
InChIInChI=1S/C12H14FN3/c1-8(14)9-3-4-12(13)11(5-9)10-6-15-16(2)7-10/h3-8H,14H2,1-2H3
InChIKeyUFSZWSFMRLESKA-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.25
Rot. Bonds2

About 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine

1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine (PubChem CID 70981434) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine
PubChem CID70981434
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2cnn(C)c2)c1
InChIInChI=1S/C12H14FN3/c1-8(14)9-3-4-12(13)11(5-9)10-6-15-16(2)7-10/h3-8H,14H2,1-2H3
InChIKeyUFSZWSFMRLESKA-UHFFFAOYSA-N
XLogP2.25
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine (CID 70981434) is 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine is CC(N)c1ccc(F)c(-c2cnn(C)c2)c1.
What is the InChIKey of 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine?
The InChIKey is UFSZWSFMRLESKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(14)9-3-4-12(13)11(5-9)10-6-15-16(2)7-10/h3-8H,14H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine?
1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine has a molecular weight of 219.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(1-methylpyrazol-4-yl)phenyl]ethanamine is sourced from PubChem (CID 70981434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).