2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol

C21H23ClN4O — CID 46884597

IUPAC2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(25-24-20)17-7-11-26(12-8-17)13-14-27/h1-6,9-10,17,27H,7-8,11-14H2,(H,24,25)
InChIKeyZINGHIPCXWTDLJ-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.96
Rot. Bonds5

About 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol

2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol (PubChem CID 46884597) has the molecular formula C21H23ClN4O and a molecular weight of 382.89 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol
PubChem CID46884597
Molecular FormulaC21H23ClN4O
Molecular Weight382.89 g/mol
Exact Mass382.16
IUPAC Name2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol
SMILESOCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C21H23ClN4O/c22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(25-24-20)17-7-11-26(12-8-17)13-14-27/h1-6,9-10,17,27H,7-8,11-14H2,(H,24,25)
InChIKeyZINGHIPCXWTDLJ-UHFFFAOYSA-N
XLogP3.96
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol (CID 46884597) is 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol is OCCN1CCC(c2[nH]nc(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol?
The InChIKey is ZINGHIPCXWTDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c22-18-3-1-16(2-4-18)20-19(15-5-9-23-10-6-15)21(25-24-20)17-7-11-26(12-8-17)13-14-27/h1-6,9-10,17,27H,7-8,11-14H2,(H,24,25).
What are the key properties of 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol?
2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol has a molecular weight of 382.89 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]piperidin-1-yl]ethanol is sourced from PubChem (CID 46884597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).