3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine

C11H13FN4 — CID 83222696

IUPAC3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(N)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4/c1-2-5-16-7-9(13)11(15-16)10-4-3-8(12)6-14-10/h3-4,6-7H,2,5,13H2,1H3
InChIKeyRVMASIUKZYPCIY-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.08
Rot. Bonds3

About 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine

3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine (PubChem CID 83222696) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
PubChem CID83222696
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine
SMILESCCCn1cc(N)c(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4/c1-2-5-16-7-9(13)11(15-16)10-4-3-8(12)6-14-10/h3-4,6-7H,2,5,13H2,1H3
InChIKeyRVMASIUKZYPCIY-UHFFFAOYSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine (CID 83222696) is 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine is CCCn1cc(N)c(-c2ccc(F)cn2)n1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine?
The InChIKey is RVMASIUKZYPCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-2-5-16-7-9(13)11(15-16)10-4-3-8(12)6-14-10/h3-4,6-7H,2,5,13H2,1H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine?
3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine has a molecular weight of 220.25 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-1-propylpyrazol-4-amine is sourced from PubChem (CID 83222696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).