3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine

C13H17FN4O — CID 66016964

IUPAC3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C13H17FN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3
InChIKeyAODUXPMJDJXTLO-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.46
Rot. Bonds4

About 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine

3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine (PubChem CID 66016964) has the molecular formula C13H17FN4O and a molecular weight of 264.30 g/mol. Its IUPAC name is 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine
PubChem CID66016964
Molecular FormulaC13H17FN4O
Molecular Weight264.30 g/mol
Exact Mass264.14
IUPAC Name3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine
SMILESCCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N
InChIInChI=1S/C13H17FN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3
InChIKeyAODUXPMJDJXTLO-UHFFFAOYSA-N
XLogP2.46
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine (CID 66016964) is 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine is CCc1nn(C)c(Nc2ccc(OC)c(F)c2)c1N.
What is the InChIKey of 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine?
The InChIKey is AODUXPMJDJXTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O/c1-4-10-12(15)13(18(2)17-10)16-8-5-6-11(19-3)9(14)7-8/h5-7,16H,4,15H2,1-3H3.
What are the key properties of 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine?
3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine has a molecular weight of 264.30 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N-(3-fluoro-4-methoxyphenyl)-1-methylpyrazole-4,5-diamine is sourced from PubChem (CID 66016964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).