1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine

C13H16FN3 — CID 114066098

IUPAC1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(F)cccc1-n1cccn1
InChIInChI=1S/C13H16FN3/c1-2-10(15)9-11-12(14)5-3-6-13(11)17-8-4-7-16-17/h3-8,10H,2,9,15H2,1H3
InChIKeySKZBLIMYNWSPOS-UHFFFAOYSA-N
MW233.29 g/mol
LogP2.29
Rot. Bonds4

About 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine

1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine (PubChem CID 114066098) has the molecular formula C13H16FN3 and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
PubChem CID114066098
Molecular FormulaC13H16FN3
Molecular Weight233.29 g/mol
Exact Mass233.13
IUPAC Name1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine
SMILESCCC(N)Cc1c(F)cccc1-n1cccn1
InChIInChI=1S/C13H16FN3/c1-2-10(15)9-11-12(14)5-3-6-13(11)17-8-4-7-16-17/h3-8,10H,2,9,15H2,1H3
InChIKeySKZBLIMYNWSPOS-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 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 ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]butan-2-amine
CID 114066107
2-fluoro-6-pyrazol-1-ylaniline
CID 50989643
1-(4-bromo-2-pyrazol-1-ylphenyl)butan-2-amine
CID 63815700
1-(2-fluoro-6-methoxyphenyl)butan-2-amine;hydrochloride
CID 170889150
1-[2-(4-bromopyrazol-1-yl)-6-fluorophenyl]propan-2-amine
CID 114066108
(2-chloro-6-pyrazol-1-ylphenyl)methanamine
CID 28965390
1-[2-chloro-6-(2-fluorophenoxy)phenyl]butan-2-amine
CID 63817705
N-[(2-fluorophenyl)methyl]-1-(2-pyrazol-1-ylphenyl)methanamine
CID 61167301
N-ethyl-1-(2-pyrazol-1-ylphenyl)propan-1-amine
CID 112678294
1-[2-fluoro-6-(2-methoxyethylsulfanyl)phenyl]butan-2-amine
CID 114066518
2-(2-pyrazol-1-ylphenyl)ethanamine
CID 63816747
2-fluoro-N'-hydroxy-6-pyrazol-1-ylbenzenecarboximidamide
CID 79519881

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine?
The IUPAC name of 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine (CID 114066098) is 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine.
What is the SMILES notation for 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine?
The canonical SMILES for 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine is CCC(N)Cc1c(F)cccc1-n1cccn1.
What is the InChIKey of 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine?
The InChIKey is SKZBLIMYNWSPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3/c1-2-10(15)9-11-12(14)5-3-6-13(11)17-8-4-7-16-17/h3-8,10H,2,9,15H2,1H3.
What are the key properties of 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine?
1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine has a molecular weight of 233.29 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-pyrazol-1-ylphenyl)butan-2-amine is sourced from PubChem (CID 114066098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).