1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine

C11H13FN4 — CID 118020376

IUPAC1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4/c1-8(13)6-10-4-5-16(15-10)11-3-2-9(12)7-14-11/h2-5,7-8H,6,13H2,1H3
InChIKeyQZWDORUMZZEULE-UHFFFAOYSA-N
MW220.25 g/mol
LogP1.30
Rot. Bonds3

About 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine

1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine (PubChem CID 118020376) has the molecular formula C11H13FN4 and a molecular weight of 220.25 g/mol. Its IUPAC name is 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine
PubChem CID118020376
Molecular FormulaC11H13FN4
Molecular Weight220.25 g/mol
Exact Mass220.11
IUPAC Name1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine
SMILESCC(N)Cc1ccn(-c2ccc(F)cn2)n1
InChIInChI=1S/C11H13FN4/c1-8(13)6-10-4-5-16(15-10)11-3-2-9(12)7-14-11/h2-5,7-8H,6,13H2,1H3
InChIKeyQZWDORUMZZEULE-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine?
The IUPAC name of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine (CID 118020376) is 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine is CC(N)Cc1ccn(-c2ccc(F)cn2)n1.
What is the InChIKey of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine?
The InChIKey is QZWDORUMZZEULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN4/c1-8(13)6-10-4-5-16(15-10)11-3-2-9(12)7-14-11/h2-5,7-8H,6,13H2,1H3.
What are the key properties of 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine?
1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine has a molecular weight of 220.25 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoro-2-pyridinyl)pyrazol-3-yl]propan-2-amine is sourced from PubChem (CID 118020376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).