4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride

C14H18ClN3O — CID 67461858

IUPAC4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride
SMILESCl.O=c1[nH]n(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C14H17N3O.ClH/c18-14-13(11-5-2-1-3-6-11)10-17(16-14)12-7-4-8-15-9-12;/h1-3,5-6,10,12,15H,4,7-9H2,(H,16,18);1H
InChIKeyDPWPUSGAERLTFZ-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.19
Rot. Bonds2

About 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride

4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride (PubChem CID 67461858) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride.

Molecular Properties

Compound Name4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride
PubChem CID67461858
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride
SMILESCl.O=c1[nH]n(C2CCCNC2)cc1-c1ccccc1
InChIInChI=1S/C14H17N3O.ClH/c18-14-13(11-5-2-1-3-6-11)10-17(16-14)12-7-4-8-15-9-12;/h1-3,5-6,10,12,15H,4,7-9H2,(H,16,18);1H
InChIKeyDPWPUSGAERLTFZ-UHFFFAOYSA-N
XLogP2.19
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride 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 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride?
The IUPAC name of 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride (CID 67461858) is 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride.
What is the SMILES notation for 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride?
The canonical SMILES for 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride is Cl.O=c1[nH]n(C2CCCNC2)cc1-c1ccccc1.
What is the InChIKey of 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride?
The InChIKey is DPWPUSGAERLTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O.ClH/c18-14-13(11-5-2-1-3-6-11)10-17(16-14)12-7-4-8-15-9-12;/h1-3,5-6,10,12,15H,4,7-9H2,(H,16,18);1H.
What are the key properties of 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride?
4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride has a molecular weight of 279.77 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride is sourced from PubChem (CID 67461858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).