5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine

C11H12FN3O — CID 117315434

IUPAC5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(F)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-6-3-7(12)4-8(11(6)16-2)9-5-10(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyNXJAZLVILVLCHQ-UHFFFAOYSA-N
MW221.24 g/mol
LogP2.12
Rot. Bonds2

About 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine

5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine (PubChem CID 117315434) has the molecular formula C11H12FN3O and a molecular weight of 221.24 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine
PubChem CID117315434
Molecular FormulaC11H12FN3O
Molecular Weight221.24 g/mol
Exact Mass221.10
IUPAC Name5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine
SMILESCOc1c(C)cc(F)cc1-c1cc(N)n[nH]1
InChIInChI=1S/C11H12FN3O/c1-6-3-7(12)4-8(11(6)16-2)9-5-10(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15)
InChIKeyNXJAZLVILVLCHQ-UHFFFAOYSA-N
XLogP2.12
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine (CID 117315434) is 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine is COc1c(C)cc(F)cc1-c1cc(N)n[nH]1.
What is the InChIKey of 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine?
The InChIKey is NXJAZLVILVLCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-6-3-7(12)4-8(11(6)16-2)9-5-10(13)15-14-9/h3-5H,1-2H3,(H3,13,14,15).
What are the key properties of 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine?
5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine has a molecular weight of 221.24 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxy-3-methylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 117315434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).