3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride

C9H16ClN3 — CID 112756464

IUPAC3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride
SMILESCc1cc(C2CCCNC2)n[nH]1.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-5-9(12-11-7)8-3-2-4-10-6-8;/h5,8,10H,2-4,6H2,1H3,(H,11,12);1H
InChIKeyDRSSVRMCIXUQRT-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.61
Rot. Bonds1

About 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride

3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride (PubChem CID 112756464) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride
PubChem CID112756464
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride
SMILESCc1cc(C2CCCNC2)n[nH]1.Cl
InChIInChI=1S/C9H15N3.ClH/c1-7-5-9(12-11-7)8-3-2-4-10-6-8;/h5,8,10H,2-4,6H2,1H3,(H,11,12);1H
InChIKeyDRSSVRMCIXUQRT-UHFFFAOYSA-N
XLogP1.61
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride?
The IUPAC name of 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride (CID 112756464) is 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride is Cc1cc(C2CCCNC2)n[nH]1.Cl.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride?
The InChIKey is DRSSVRMCIXUQRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.ClH/c1-7-5-9(12-11-7)8-3-2-4-10-6-8;/h5,8,10H,2-4,6H2,1H3,(H,11,12);1H.
What are the key properties of 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride?
3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride has a molecular weight of 201.70 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-3-yl)piperidine;hydrochloride is sourced from PubChem (CID 112756464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).