3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine

C11H12FN3 — CID 117293427

IUPAC3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(CF)c2)cc1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)6-10(14-15)9-4-2-3-8(5-9)7-12/h2-6H,7,13H2,1H3
InChIKeyIIICCQYPRRHPAL-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.14
Rot. Bonds2

About 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine

3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine (PubChem CID 117293427) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
PubChem CID117293427
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
SMILESCn1nc(-c2cccc(CF)c2)cc1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)6-10(14-15)9-4-2-3-8(5-9)7-12/h2-6H,7,13H2,1H3
InChIKeyIIICCQYPRRHPAL-UHFFFAOYSA-N
XLogP2.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine (CID 117293427) is 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine is Cn1nc(-c2cccc(CF)c2)cc1N.
What is the InChIKey of 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
The InChIKey is IIICCQYPRRHPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(13)6-10(14-15)9-4-2-3-8(5-9)7-12/h2-6H,7,13H2,1H3.
What are the key properties of 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine?
3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117293427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).