(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride

C11H15Cl2FN4 — CID 118020384

IUPAC(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride
SMILESC[C@H](N)Cn1cc(-c2ccc(F)cn2)cn1.Cl.Cl
InChIInChI=1S/C11H13FN4.2ClH/c1-8(13)6-16-7-9(4-15-16)11-3-2-10(12)5-14-11;;/h2-5,7-8H,6,13H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyIEIYKZITHLDELK-JZGIKJSDSA-N
MW293.17 g/mol
LogP2.28
Rot. Bonds3

About (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride

(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride (PubChem CID 118020384) has the molecular formula C11H15Cl2FN4 and a molecular weight of 293.17 g/mol. Its IUPAC name is (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride.

Molecular Properties

Compound Name(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride
PubChem CID118020384
Molecular FormulaC11H15Cl2FN4
Molecular Weight293.17 g/mol
Exact Mass292.07
IUPAC Name(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride
SMILESC[C@H](N)Cn1cc(-c2ccc(F)cn2)cn1.Cl.Cl
InChIInChI=1S/C11H13FN4.2ClH/c1-8(13)6-16-7-9(4-15-16)11-3-2-10(12)5-14-11;;/h2-5,7-8H,6,13H2,1H3;2*1H/t8-;;/m0../s1
InChIKeyIEIYKZITHLDELK-JZGIKJSDSA-N
XLogP2.28
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.17
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride?
The IUPAC name of (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride (CID 118020384) is (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride.
What is the SMILES notation for (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride?
The canonical SMILES for (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride is C[C@H](N)Cn1cc(-c2ccc(F)cn2)cn1.Cl.Cl.
What is the InChIKey of (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride?
The InChIKey is IEIYKZITHLDELK-JZGIKJSDSA-N. The full InChI is InChI=1S/C11H13FN4.2ClH/c1-8(13)6-16-7-9(4-15-16)11-3-2-10(12)5-14-11;;/h2-5,7-8H,6,13H2,1H3;2*1H/t8-;;/m0../s1.
What are the key properties of (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride?
(2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride has a molecular weight of 293.17 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(5-fluoro-2-pyridinyl)pyrazol-1-yl]propan-2-amine;dihydrochloride is sourced from PubChem (CID 118020384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).