1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine

C11H12FN3O — CID 19618418

IUPAC1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1COc1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-8-6-11(13)14-15(8)7-16-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyGRCGNIWVUOCIEM-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.95
Rot. Bonds3

About 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine

1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine (PubChem CID 19618418) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine
PubChem CID19618418
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine
SMILESCc1cc(N)nn1COc1ccccc1F
InChIInChI=1S/C11H12FN3O/c1-8-6-11(13)14-15(8)7-16-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3,(H2,13,14)
InChIKeyGRCGNIWVUOCIEM-UHFFFAOYSA-N
XLogP1.95
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine (CID 19618418) is 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine is Cc1cc(N)nn1COc1ccccc1F.
What is the InChIKey of 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine?
The InChIKey is GRCGNIWVUOCIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8-6-11(13)14-15(8)7-16-10-5-3-2-4-9(10)12/h2-6H,7H2,1H3,(H2,13,14).
What are the key properties of 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine?
1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine has a molecular weight of 221.24 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenoxy)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19618418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).