4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride

C15H19Cl2N3 — CID 122638175

IUPAC4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride
SMILESCc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-11-10-15(12-6-8-17-9-7-12)18-19(11)14-4-2-13(16)3-5-14;/h2-5,10,12,17H,6-9H2,1H3;1H
InChIKeyVPYQDHKYFDYNRS-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.72
Rot. Bonds2

About 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride

4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride (PubChem CID 122638175) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride
PubChem CID122638175
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride
SMILESCc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H18ClN3.ClH/c1-11-10-15(12-6-8-17-9-7-12)18-19(11)14-4-2-13(16)3-5-14;/h2-5,10,12,17H,6-9H2,1H3;1H
InChIKeyVPYQDHKYFDYNRS-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride (CID 122638175) is 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride is Cc1cc(C2CCNCC2)nn1-c1ccc(Cl)cc1.Cl.
What is the InChIKey of 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride?
The InChIKey is VPYQDHKYFDYNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3.ClH/c1-11-10-15(12-6-8-17-9-7-12)18-19(11)14-4-2-13(16)3-5-14;/h2-5,10,12,17H,6-9H2,1H3;1H.
What are the key properties of 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride?
4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride has a molecular weight of 312.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-chlorophenyl)-5-methylpyrazol-3-yl]piperidine;hydrochloride is sourced from PubChem (CID 122638175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).