1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine

C12H14FN3O — CID 64853417

IUPAC1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(F)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C12H14FN3O/c1-9-2-3-10(13)11(8-9)17-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyMWZDLJJGORVKBM-UHFFFAOYSA-N
MW235.26 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine

1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine (PubChem CID 64853417) has the molecular formula C12H14FN3O and a molecular weight of 235.26 g/mol. Its IUPAC name is 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
PubChem CID64853417
Molecular FormulaC12H14FN3O
Molecular Weight235.26 g/mol
Exact Mass235.11
IUPAC Name1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine
SMILESCc1ccc(F)c(OCCn2ccc(N)n2)c1
InChIInChI=1S/C12H14FN3O/c1-9-2-3-10(13)11(8-9)17-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15)
InChIKeyMWZDLJJGORVKBM-UHFFFAOYSA-N
XLogP1.99
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine?
The IUPAC name of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine (CID 64853417) is 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine?
The canonical SMILES for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine is Cc1ccc(F)c(OCCn2ccc(N)n2)c1.
What is the InChIKey of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine?
The InChIKey is MWZDLJJGORVKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O/c1-9-2-3-10(13)11(8-9)17-7-6-16-5-4-12(14)15-16/h2-5,8H,6-7H2,1H3,(H2,14,15).
What are the key properties of 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine?
1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine has a molecular weight of 235.26 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-fluoro-5-methylphenoxy)ethyl]pyrazol-3-amine is sourced from PubChem (CID 64853417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).