3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine

C14H11FN4 — CID 104785958

IUPAC3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2cncc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C14H11FN4/c15-11-6-10(8-17-9-11)13-7-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,16H2
InChIKeyPOIFULNSAWCQLN-UHFFFAOYSA-N
MW254.27 g/mol
LogP2.66
Rot. Bonds2

About 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine

3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine (PubChem CID 104785958) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine
PubChem CID104785958
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC Name3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine
SMILESNc1cc(-c2cncc(F)c2)nn1-c1ccccc1
InChIInChI=1S/C14H11FN4/c15-11-6-10(8-17-9-11)13-7-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,16H2
InChIKeyPOIFULNSAWCQLN-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine (CID 104785958) is 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine is Nc1cc(-c2cncc(F)c2)nn1-c1ccccc1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine?
The InChIKey is POIFULNSAWCQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-6-10(8-17-9-11)13-7-14(16)19(18-13)12-4-2-1-3-5-12/h1-9H,16H2.
What are the key properties of 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine?
3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine has a molecular weight of 254.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-1-phenylpyrazol-5-amine is sourced from PubChem (CID 104785958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).