1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine

C9H9FN4 — CID 135232789

IUPAC1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(CF)nc2)n1
InChIInChI=1S/C9H9FN4/c10-5-7-1-2-8(6-12-7)14-4-3-9(11)13-14/h1-4,6H,5H2,(H2,11,13)
InChIKeyILIJUNYAUBRBJQ-UHFFFAOYSA-N
MW192.20 g/mol
LogP1.32
Rot. Bonds2

About 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine

1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine (PubChem CID 135232789) has the molecular formula C9H9FN4 and a molecular weight of 192.20 g/mol. Its IUPAC name is 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine
PubChem CID135232789
Molecular FormulaC9H9FN4
Molecular Weight192.20 g/mol
Exact Mass192.08
IUPAC Name1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine
SMILESNc1ccn(-c2ccc(CF)nc2)n1
InChIInChI=1S/C9H9FN4/c10-5-7-1-2-8(6-12-7)14-4-3-9(11)13-14/h1-4,6H,5H2,(H2,11,13)
InChIKeyILIJUNYAUBRBJQ-UHFFFAOYSA-N
XLogP1.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine?
The IUPAC name of 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine (CID 135232789) is 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine.
What is the SMILES notation for 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine?
The canonical SMILES for 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine is Nc1ccn(-c2ccc(CF)nc2)n1.
What is the InChIKey of 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine?
The InChIKey is ILIJUNYAUBRBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4/c10-5-7-1-2-8(6-12-7)14-4-3-9(11)13-14/h1-4,6H,5H2,(H2,11,13).
What are the key properties of 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine?
1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine has a molecular weight of 192.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(fluoromethyl)-3-pyridinyl]pyrazol-3-amine is sourced from PubChem (CID 135232789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).