5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

C12H14FN3O — CID 82083321

IUPAC5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1cc(F)ccc1OC
InChIInChI=1S/C12H14FN3O/c1-3-9-11(12(14)16-15-9)8-6-7(13)4-5-10(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyJJGLUWCOJNMHBZ-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.37
Rot. Bonds3

About 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine

5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (PubChem CID 82083321) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
PubChem CID82083321
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine
SMILESCCc1[nH]nc(N)c1-c1cc(F)ccc1OC
InChIInChI=1S/C12H14FN3O/c1-3-9-11(12(14)16-15-9)8-6-7(13)4-5-10(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16)
InChIKeyJJGLUWCOJNMHBZ-UHFFFAOYSA-N
XLogP2.37
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-4-(5-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82083559
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-5-methylpyrimidin-4-amine
CID 80977034
6-(5-fluoro-2-methoxyphenyl)pyridin-2-amine
CID 61026023
4-(5-fluoro-2-methoxyphenyl)imidazole-1,2-diamine
CID 82286848
5-(5-fluoro-2-methoxyphenyl)-1,2,4-triazin-3-amine
CID 82392808
[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]methanethiol
CID 116965875
4-(5-fluoro-2-methoxyphenyl)pyrimidine
CID 141365926
5-(cyclobutylmethyl)-4-(2-methoxyphenyl)-1H-pyrazol-3-amine
CID 103163957
2-ethyl-6-(5-fluoro-2-methoxyphenyl)-N-propylpyrimidin-4-amine
CID 80939031
4-(5-fluoro-2-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563356
2-ethyl-4-(5-fluoro-2-methoxyphenyl)aniline
CID 81289951
5-(5-fluoro-2-methoxyphenyl)-3H-1,3,4-thiadiazole-2-thione
CID 106518317

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine (CID 82083321) is 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is CCc1[nH]nc(N)c1-c1cc(F)ccc1OC.
What is the InChIKey of 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
The InChIKey is JJGLUWCOJNMHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-3-9-11(12(14)16-15-9)8-6-7(13)4-5-10(8)17-2/h4-6H,3H2,1-2H3,(H3,14,15,16).
What are the key properties of 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine?
5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(5-fluoro-2-methoxyphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82083321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).