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

C13H16FN3O — CID 117375989

IUPAC4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(F)c(OC)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)11(14)6-8)10-7-16-17(2)13(10)15/h5-7H,4,15H2,1-3H3
InChIKeyBLCUOBRWRMJXSM-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.38
Rot. Bonds3

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

4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (PubChem CID 117375989) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
PubChem CID117375989
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine
SMILESCCc1cc(F)c(OC)c(-c2cnn(C)c2N)c1
InChIInChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)11(14)6-8)10-7-16-17(2)13(10)15/h5-7H,4,15H2,1-3H3
InChIKeyBLCUOBRWRMJXSM-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine (CID 117375989) is 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is CCc1cc(F)c(OC)c(-c2cnn(C)c2N)c1.
What is the InChIKey of 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
The InChIKey is BLCUOBRWRMJXSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-4-8-5-9(12(18-3)11(14)6-8)10-7-16-17(2)13(10)15/h5-7H,4,15H2,1-3H3.
What are the key properties of 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine?
4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-3-fluoro-2-methoxyphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117375989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).