5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine

C12H14FN3O — CID 116827395

IUPAC5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C12H14FN3O/c1-14-12-7-10(16(2)15-12)8-4-5-11(17-3)9(13)6-8/h4-7H,1-3H3,(H,14,15)
InChIKeyJLHQUHVZIPNWTK-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.28
Rot. Bonds3

About 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine

5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine (PubChem CID 116827395) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
PubChem CID116827395
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(F)c2)n(C)n1
InChIInChI=1S/C12H14FN3O/c1-14-12-7-10(16(2)15-12)8-4-5-11(17-3)9(13)6-8/h4-7H,1-3H3,(H,14,15)
InChIKeyJLHQUHVZIPNWTK-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carbonitrile
CID 116858619
N,1-dimethyl-5-(4-methylphenyl)pyrazol-3-amine
CID 116827378
5-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole
CID 116869104
5-(2-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827490
5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827447
N,1-dimethyl-5-(1H-pyrrol-3-yl)pyrazol-3-amine
CID 136995824
3-(3-fluoro-4-methoxyphenyl)-N-methylimidazo[1,2-a]pyrazin-8-amine
CID 58777802
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
5-(5-chloro-2-methoxy-4-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827428
5-(3-fluoro-4-methoxyphenyl)-8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 82556948
3-fluoro-4-methoxy-N-methylaniline
CID 21307269
N-[(3-fluoro-4-methoxyphenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 113290173

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine (CID 116827395) is 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine is CNc1cc(-c2ccc(OC)c(F)c2)n(C)n1.
What is the InChIKey of 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine?
The InChIKey is JLHQUHVZIPNWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-14-12-7-10(16(2)15-12)8-4-5-11(17-3)9(13)6-8/h4-7H,1-3H3,(H,14,15).
What are the key properties of 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine?
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 116827395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).