4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine

C11H12FN3 — CID 82024378

IUPAC4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Cc2ccccc2F)c1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)9(7-14-15)6-8-4-2-3-5-10(8)12/h2-5,7H,6,13H2,1H3
InChIKeyITNGLDUHCMYICX-UHFFFAOYSA-N
MW205.24 g/mol
LogP1.73
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine

4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine (PubChem CID 82024378) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine
PubChem CID82024378
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine
SMILESCn1ncc(Cc2ccccc2F)c1N
InChIInChI=1S/C11H12FN3/c1-15-11(13)9(7-14-15)6-8-4-2-3-5-10(8)12/h2-5,7H,6,13H2,1H3
InChIKeyITNGLDUHCMYICX-UHFFFAOYSA-N
XLogP1.73
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 ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine (CID 82024378) is 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine is Cn1ncc(Cc2ccccc2F)c1N.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
The InChIKey is ITNGLDUHCMYICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-15-11(13)9(7-14-15)6-8-4-2-3-5-10(8)12/h2-5,7H,6,13H2,1H3.
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine?
4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine has a molecular weight of 205.24 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 82024378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).