3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine

C13H16FN3O — CID 134440620

IUPAC3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine
SMILESCOCCn1nc(-c2ccc(F)cc2)c(C)c1N
InChIInChI=1S/C13H16FN3O/c1-9-12(10-3-5-11(14)6-4-10)16-17(13(9)15)7-8-18-2/h3-6H,7-8,15H2,1-2H3
InChIKeyRMYFTTHMXZSVDV-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.23
Rot. Bonds4

About 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine

3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine (PubChem CID 134440620) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine
PubChem CID134440620
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine
SMILESCOCCn1nc(-c2ccc(F)cc2)c(C)c1N
InChIInChI=1S/C13H16FN3O/c1-9-12(10-3-5-11(14)6-4-10)16-17(13(9)15)7-8-18-2/h3-6H,7-8,15H2,1-2H3
InChIKeyRMYFTTHMXZSVDV-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine?
The IUPAC name of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine (CID 134440620) is 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine?
The canonical SMILES for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine is COCCn1nc(-c2ccc(F)cc2)c(C)c1N.
What is the InChIKey of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine?
The InChIKey is RMYFTTHMXZSVDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-9-12(10-3-5-11(14)6-4-10)16-17(13(9)15)7-8-18-2/h3-6H,7-8,15H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine?
3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine has a molecular weight of 249.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-1-(2-methoxyethyl)-4-methylpyrazol-5-amine is sourced from PubChem (CID 134440620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).