4-pyrazol-1-ylpiperidin-1-ium chloride

C8H14ClN3 — CID 161498561

IUPAC4-pyrazol-1-ylpiperidin-1-ium chloride
SMILES[Cl-].c1cnn(C2CC[NH2+]CC2)c1
InChIInChI=1S/C8H13N3.ClH/c1-4-10-11(7-1)8-2-5-9-6-3-8;/h1,4,7-9H,2-3,5-6H2;1H
InChIKeyQRJCGVNDIQCAAA-UHFFFAOYSA-N
MW187.67 g/mol
LogP-3.21
Rot. Bonds1

About 4-pyrazol-1-ylpiperidin-1-ium chloride

4-pyrazol-1-ylpiperidin-1-ium chloride (PubChem CID 161498561) has the molecular formula C8H14ClN3 and a molecular weight of 187.67 g/mol. Its IUPAC name is 4-pyrazol-1-ylpiperidin-1-ium chloride.

Molecular Properties

Compound Name4-pyrazol-1-ylpiperidin-1-ium chloride
PubChem CID161498561
Molecular FormulaC8H14ClN3
Molecular Weight187.67 g/mol
Exact Mass187.09
IUPAC Name4-pyrazol-1-ylpiperidin-1-ium chloride
SMILES[Cl-].c1cnn(C2CC[NH2+]CC2)c1
InChIInChI=1S/C8H13N3.ClH/c1-4-10-11(7-1)8-2-5-9-6-3-8;/h1,4,7-9H,2-3,5-6H2;1H
InChIKeyQRJCGVNDIQCAAA-UHFFFAOYSA-N
XLogP-3.21
TPSA34.43 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 5-3.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopentyl-1H-pyrazole
CID 10844435
4-(4-Iodo-1H-pyrazol-1-yl)piperidine
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2-(1H-pyrazol-1-yl)ethan-1-amine
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1-(1H-pyrazol-1-yl)propan-2-amine
CID 6483888
4-(1H-Pyrazol-1-yl)piperidine
CID 21193045
3-(1H-pyrazol-1-yl)piperidine
CID 47003266
3-(4-methyl-1H-pyrazol-1-yl)piperidine
CID 54592641
2-Piperidin-4-yl-2H-pyrazol-3-ylamine
CID 649859
1-(pyrrolidin-2-ylmethyl)-1H-pyrazole
CID 25220770
4-(1H-pyrazol-1-yl)piperidine hydrochloride
CID 56766486
4-(1H-pyrazol-1-ylmethyl)piperidine
CID 28063741
4-(4-Bromo-1H-pyrazol-1-yl)piperidine
CID 52191621

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-ylpiperidin-1-ium chloride?
The IUPAC name of 4-pyrazol-1-ylpiperidin-1-ium chloride (CID 161498561) is 4-pyrazol-1-ylpiperidin-1-ium chloride.
What is the SMILES notation for 4-pyrazol-1-ylpiperidin-1-ium chloride?
The canonical SMILES for 4-pyrazol-1-ylpiperidin-1-ium chloride is [Cl-].c1cnn(C2CC[NH2+]CC2)c1.
What is the InChIKey of 4-pyrazol-1-ylpiperidin-1-ium chloride?
The InChIKey is QRJCGVNDIQCAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.ClH/c1-4-10-11(7-1)8-2-5-9-6-3-8;/h1,4,7-9H,2-3,5-6H2;1H.
What are the key properties of 4-pyrazol-1-ylpiperidin-1-ium chloride?
4-pyrazol-1-ylpiperidin-1-ium chloride has a molecular weight of 187.67 g/mol, XLogP of -3.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-ylpiperidin-1-ium chloride is sourced from PubChem (CID 161498561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).