2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol

C26H26ClN5O — CID 54597177

IUPAC2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
InChIKeyVSNXVFRRZXFFLD-UHFFFAOYSA-N
MW459.98 g/mol
LogP4.90
Rot. Bonds6

About 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol

2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol (PubChem CID 54597177) has the molecular formula C26H26ClN5O and a molecular weight of 459.98 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
PubChem CID54597177
Molecular FormulaC26H26ClN5O
Molecular Weight459.98 g/mol
Exact Mass459.18
IUPAC Name2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol
SMILESOC(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1
InChIInChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2
InChIKeyVSNXVFRRZXFFLD-UHFFFAOYSA-N
XLogP4.90
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.98
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol (CID 54597177) is 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol is OC(CN1CCC(c2cc(-c3ccc(Cl)cc3)nn2-c2ncccn2)CC1)c1ccccc1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
The InChIKey is VSNXVFRRZXFFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN5O/c27-22-9-7-19(8-10-22)23-17-24(32(30-23)26-28-13-4-14-29-26)20-11-15-31(16-12-20)18-25(33)21-5-2-1-3-6-21/h1-10,13-14,17,20,25,33H,11-12,15-16,18H2.
What are the key properties of 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol?
2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol has a molecular weight of 459.98 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-1-pyrimidin-2-ylpyrazol-5-yl]piperidin-1-yl]-1-phenylethanol is sourced from PubChem (CID 54597177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).