(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol

C17H20ClN3O — CID 125140095

IUPAC(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CC=C(c2cccc(Cl)c2)CC1)Cn1cccn1
InChIInChI=1S/C17H20ClN3O/c18-16-4-1-3-15(11-16)14-5-9-20(10-6-14)12-17(22)13-21-8-2-7-19-21/h1-5,7-8,11,17,22H,6,9-10,12-13H2/t17-/m1/s1
InChIKeyABPYILDEBJKOHR-QGZVFWFLSA-N
MW317.82 g/mol
LogP2.69
Rot. Bonds5

About (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol

(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 125140095) has the molecular formula C17H20ClN3O and a molecular weight of 317.82 g/mol. Its IUPAC name is (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
PubChem CID125140095
Molecular FormulaC17H20ClN3O
Molecular Weight317.82 g/mol
Exact Mass317.13
IUPAC Name(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](CN1CC=C(c2cccc(Cl)c2)CC1)Cn1cccn1
InChIInChI=1S/C17H20ClN3O/c18-16-4-1-3-15(11-16)14-5-9-20(10-6-14)12-17(22)13-21-8-2-7-19-21/h1-5,7-8,11,17,22H,6,9-10,12-13H2/t17-/m1/s1
InChIKeyABPYILDEBJKOHR-QGZVFWFLSA-N
XLogP2.69
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol (CID 125140095) is (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol is O[C@H](CN1CC=C(c2cccc(Cl)c2)CC1)Cn1cccn1.
What is the InChIKey of (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is ABPYILDEBJKOHR-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20ClN3O/c18-16-4-1-3-15(11-16)14-5-9-20(10-6-14)12-17(22)13-21-8-2-7-19-21/h1-5,7-8,11,17,22H,6,9-10,12-13H2/t17-/m1/s1.
What are the key properties of (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol?
(2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 317.82 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 125140095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).