4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline

C11H10FN3 — CID 166956588

IUPAC4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline
SMILESC=C(Nc1ccc(F)cc1)n1cccn1
InChIInChI=1S/C11H10FN3/c1-9(15-8-2-7-13-15)14-11-5-3-10(12)4-6-11/h2-8,14H,1H2
InChIKeyQDUVWKRCWBCNOF-UHFFFAOYSA-N
MW203.22 g/mol
LogP2.56
Rot. Bonds3

About 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline

4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline (PubChem CID 166956588) has the molecular formula C11H10FN3 and a molecular weight of 203.22 g/mol. Its IUPAC name is 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline.

Molecular Properties

Compound Name4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline
PubChem CID166956588
Molecular FormulaC11H10FN3
Molecular Weight203.22 g/mol
Exact Mass203.09
IUPAC Name4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline
SMILESC=C(Nc1ccc(F)cc1)n1cccn1
InChIInChI=1S/C11H10FN3/c1-9(15-8-2-7-13-15)14-11-5-3-10(12)4-6-11/h2-8,14H,1H2
InChIKeyQDUVWKRCWBCNOF-UHFFFAOYSA-N
XLogP2.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline?
The IUPAC name of 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline (CID 166956588) is 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline.
What is the SMILES notation for 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline?
The canonical SMILES for 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline is C=C(Nc1ccc(F)cc1)n1cccn1.
What is the InChIKey of 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline?
The InChIKey is QDUVWKRCWBCNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3/c1-9(15-8-2-7-13-15)14-11-5-3-10(12)4-6-11/h2-8,14H,1H2.
What are the key properties of 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline?
4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline has a molecular weight of 203.22 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(1-pyrazol-1-ylethenyl)aniline is sourced from PubChem (CID 166956588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).