(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C15H19Cl2N5O — CID 51964109

IUPAC(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)Cn1cccn1
InChIInChI=1S/C15H19Cl2N5O/c16-12-8-14(17)15(18-9-12)21-6-4-20(5-7-21)10-13(23)11-22-3-1-2-19-22/h1-3,8-9,13,23H,4-7,10-11H2/t13-/m0/s1
InChIKeyLYHDHUIXUBEBQK-ZDUSSCGKSA-N
MW356.26 g/mol
LogP1.77
Rot. Bonds5

About (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 51964109) has the molecular formula C15H19Cl2N5O and a molecular weight of 356.26 g/mol. Its IUPAC name is (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID51964109
Molecular FormulaC15H19Cl2N5O
Molecular Weight356.26 g/mol
Exact Mass355.10
IUPAC Name(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)Cn1cccn1
InChIInChI=1S/C15H19Cl2N5O/c16-12-8-14(17)15(18-9-12)21-6-4-20(5-7-21)10-13(23)11-22-3-1-2-19-22/h1-3,8-9,13,23H,4-7,10-11H2/t13-/m0/s1
InChIKeyLYHDHUIXUBEBQK-ZDUSSCGKSA-N
XLogP1.77
TPSA57.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 51964109) is (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is O[C@@H](CN1CCN(c2ncc(Cl)cc2Cl)CC1)Cn1cccn1.
What is the InChIKey of (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is LYHDHUIXUBEBQK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H19Cl2N5O/c16-12-8-14(17)15(18-9-12)21-6-4-20(5-7-21)10-13(23)11-22-3-1-2-19-22/h1-3,8-9,13,23H,4-7,10-11H2/t13-/m0/s1.
What are the key properties of (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 356.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[4-(3,5-dichloro-2-pyridinyl)piperazin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 51964109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).