3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine

C13H16FN3O — CID 115055377

IUPAC3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine
SMILESCc1c(Oc2ccccc2F)cnn1CCCN
InChIInChI=1S/C13H16FN3O/c1-10-13(9-16-17(10)8-4-7-15)18-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,15H2,1H3
InChIKeyMMJDCGQQMHVLKY-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.47
Rot. Bonds5

About 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine

3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine (PubChem CID 115055377) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine
PubChem CID115055377
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine
SMILESCc1c(Oc2ccccc2F)cnn1CCCN
InChIInChI=1S/C13H16FN3O/c1-10-13(9-16-17(10)8-4-7-15)18-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,15H2,1H3
InChIKeyMMJDCGQQMHVLKY-UHFFFAOYSA-N
XLogP2.47
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-aminoethyl)-5-methylpyrazol-4-yl]oxyphenol
CID 115039482
1,2-bis[2-[2-(2-fluorophenoxy)phenoxy]phenoxy]benzene
CID 22338502
[2-fluoro-6-(2-fluorophenoxy)phenyl]methanamine
CID 79516548
2-[2-(2-fluorophenoxy)phenyl]ethanamine
CID 63817709
2-(2-fluorophenoxy)-6-methylaniline
CID 20513508
3-[5-(2-fluorophenyl)triazol-1-yl]propan-1-amine
CID 115031941
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
[2-fluoro-4-(2-fluorophenoxy)-5-methylphenyl]methanamine;hydrochloride
CID 157181289
2-[2-chloro-6-(2-fluorophenoxy)phenyl]ethanamine
CID 63815774
[3-(2-fluorophenoxy)pyrazin-2-yl]methanamine
CID 62672553
6-(2-fluorophenoxy)-5-methylpyrimidin-4-amine
CID 80864729
1-(2-fluoroethyl)-N-[(2-methoxyphenyl)methyl]-5-methylpyrazol-4-amine
CID 122168358

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine?
The IUPAC name of 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine (CID 115055377) is 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine is Cc1c(Oc2ccccc2F)cnn1CCCN.
What is the InChIKey of 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine?
The InChIKey is MMJDCGQQMHVLKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-10-13(9-16-17(10)8-4-7-15)18-12-6-3-2-5-11(12)14/h2-3,5-6,9H,4,7-8,15H2,1H3.
What are the key properties of 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine?
3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine has a molecular weight of 249.29 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-fluorophenoxy)-5-methylpyrazol-1-yl]propan-1-amine is sourced from PubChem (CID 115055377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).