3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine

C13H16FN3O — CID 117376001

IUPAC3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(C)F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-8(14)9-4-5-12(18-3)10(6-9)11-7-13(15)17(2)16-11/h4-8H,15H2,1-3H3
InChIKeyDBGGTRWEPASKNG-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.71
Rot. Bonds3

About 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine

3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine (PubChem CID 117376001) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
PubChem CID117376001
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine
SMILESCOc1ccc(C(C)F)cc1-c1cc(N)n(C)n1
InChIInChI=1S/C13H16FN3O/c1-8(14)9-4-5-12(18-3)10(6-9)11-7-13(15)17(2)16-11/h4-8H,15H2,1-3H3
InChIKeyDBGGTRWEPASKNG-UHFFFAOYSA-N
XLogP2.71
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(difluoromethyl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117455221
3-[4-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117312392
3-(3-bromo-2-fluoro-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482991
3-(2-methoxy-5-methylsulfonylphenyl)-1-methylpyrazol-5-amine
CID 117451531
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761434
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
3-(2,5-difluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117350204
3-(3,6-dimethoxy-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117370817
3-(5-bromo-2-fluoro-3-methoxyphenyl)-1-methylpyrazol-5-amine
CID 117482985
3-(3-bromo-4-methoxyphenyl)-1-methylpyrazol-5-amine
CID 61033459
3-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117478815
3-[3-fluoro-2-(1-fluoroethyl)phenyl]-1-methylpyrazol-5-amine
CID 117346333

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine (CID 117376001) is 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine is COc1ccc(C(C)F)cc1-c1cc(N)n(C)n1.
What is the InChIKey of 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
The InChIKey is DBGGTRWEPASKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-8(14)9-4-5-12(18-3)10(6-9)11-7-13(15)17(2)16-11/h4-8H,15H2,1-3H3.
What are the key properties of 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine?
3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-fluoroethyl)-2-methoxyphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117376001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).