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

C13H12FN5 — CID 83222604

IUPAC1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(-c3ccc(F)cc3)cc2N)cn1
InChIInChI=1S/C13H12FN5/c1-18-7-9(6-16-18)13-12(15)8-19(17-13)11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
InChIKeyZYGKFZCXNYYJET-UHFFFAOYSA-N
MW257.27 g/mol
LogP1.99
Rot. Bonds2

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

1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (PubChem CID 83222604) has the molecular formula C13H12FN5 and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
PubChem CID83222604
Molecular FormulaC13H12FN5
Molecular Weight257.27 g/mol
Exact Mass257.11
IUPAC Name1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine
SMILESCn1cc(-c2nn(-c3ccc(F)cc3)cc2N)cn1
InChIInChI=1S/C13H12FN5/c1-18-7-9(6-16-18)13-12(15)8-19(17-13)11-4-2-10(14)3-5-11/h2-8H,15H2,1H3
InChIKeyZYGKFZCXNYYJET-UHFFFAOYSA-N
XLogP1.99
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The IUPAC name of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine (CID 83222604) is 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine.
What is the SMILES notation for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The canonical SMILES for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is Cn1cc(-c2nn(-c3ccc(F)cc3)cc2N)cn1.
What is the InChIKey of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
The InChIKey is ZYGKFZCXNYYJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN5/c1-18-7-9(6-16-18)13-12(15)8-19(17-13)11-4-2-10(14)3-5-11/h2-8H,15H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine?
1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine has a molecular weight of 257.27 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-(1-methylpyrazol-4-yl)pyrazol-4-amine is sourced from PubChem (CID 83222604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).