1-(3-fluorophenyl)-3-methylpyrazol-4-amine

C10H10FN3 — CID 83222800

IUPAC1-(3-fluorophenyl)-3-methylpyrazol-4-amine
SMILESCc1nn(-c2cccc(F)c2)cc1N
InChIInChI=1S/C10H10FN3/c1-7-10(12)6-14(13-7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3
InChIKeyWQFSESYPSVOFQA-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.90
Rot. Bonds1

About 1-(3-fluorophenyl)-3-methylpyrazol-4-amine

1-(3-fluorophenyl)-3-methylpyrazol-4-amine (PubChem CID 83222800) has the molecular formula C10H10FN3 and a molecular weight of 191.21 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-3-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3-fluorophenyl)-3-methylpyrazol-4-amine
PubChem CID83222800
Molecular FormulaC10H10FN3
Molecular Weight191.21 g/mol
Exact Mass191.09
IUPAC Name1-(3-fluorophenyl)-3-methylpyrazol-4-amine
SMILESCc1nn(-c2cccc(F)c2)cc1N
InChIInChI=1S/C10H10FN3/c1-7-10(12)6-14(13-7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3
InChIKeyWQFSESYPSVOFQA-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-3-methylpyrazol-4-amine?
The IUPAC name of 1-(3-fluorophenyl)-3-methylpyrazol-4-amine (CID 83222800) is 1-(3-fluorophenyl)-3-methylpyrazol-4-amine.
What is the SMILES notation for 1-(3-fluorophenyl)-3-methylpyrazol-4-amine?
The canonical SMILES for 1-(3-fluorophenyl)-3-methylpyrazol-4-amine is Cc1nn(-c2cccc(F)c2)cc1N.
What is the InChIKey of 1-(3-fluorophenyl)-3-methylpyrazol-4-amine?
The InChIKey is WQFSESYPSVOFQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3/c1-7-10(12)6-14(13-7)9-4-2-3-8(11)5-9/h2-6H,12H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-3-methylpyrazol-4-amine?
1-(3-fluorophenyl)-3-methylpyrazol-4-amine has a molecular weight of 191.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-3-methylpyrazol-4-amine is sourced from PubChem (CID 83222800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).