1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium

C11H19N3 — CID 123509905

IUPAC1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium
SMILES[CH2-][NH+]1CCCCC1CCn1cccn1
InChIInChI=1S/C11H19N3/c1-13-8-3-2-5-11(13)6-10-14-9-4-7-12-14/h4,7,9,11,13H,1-3,5-6,8,10H2
InChIKeySBNQINHHPFUJSY-UHFFFAOYSA-N
MW193.29 g/mol
LogP0.50
Rot. Bonds3

About 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium

1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium (PubChem CID 123509905) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium.

Molecular Properties

Compound Name1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium
PubChem CID123509905
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium
SMILES[CH2-][NH+]1CCCCC1CCn1cccn1
InChIInChI=1S/C11H19N3/c1-13-8-3-2-5-11(13)6-10-14-9-4-7-12-14/h4,7,9,11,13H,1-3,5-6,8,10H2
InChIKeySBNQINHHPFUJSY-UHFFFAOYSA-N
XLogP0.50
TPSA22.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Analyze 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1,3-dioxan-2-yl)ethyl]pyrazole
CID 66474739
1-[2-(oxan-4-yl)ethyl]pyrazole
CID 131203572
4-N-ethyl-4-N-(2-pyrazol-1-ylethyl)cyclohexane-1,4-diamine
CID 79115977
N-(cyclopentylmethyl)-2-pyrazol-1-ylethanamine
CID 61463105
2-pyrazol-1-yl-N,N-bis(2-pyrazol-1-ylethyl)ethanamine
CID 5255415
1-cyclopropyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 110030426
2-[2-(2-pyrazol-1-ylethoxy)ethyl]piperidine
CID 62342583
N,N-dimethyl-5-[[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 99945992
N,N-dimethyl-5-[[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methyl]pyrimidin-2-amine
CID 77092558
N-(4-pyrazol-1-ylbutan-2-yl)cyclohexanamine
CID 86784746
3-(2-pyrazol-1-ylethyl)azetidine-1-carboxylic acid
CID 151886257
1-N-(2-pyrazol-1-ylethyl)cyclohexane-1,3-diamine
CID 79458214

Frequently Asked Questions

What is the IUPAC name of 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium?
The IUPAC name of 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium (CID 123509905) is 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium.
What is the SMILES notation for 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium?
The canonical SMILES for 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium is [CH2-][NH+]1CCCCC1CCn1cccn1.
What is the InChIKey of 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium?
The InChIKey is SBNQINHHPFUJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-13-8-3-2-5-11(13)6-10-14-9-4-7-12-14/h4,7,9,11,13H,1-3,5-6,8,10H2.
What are the key properties of 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium?
1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium has a molecular weight of 193.29 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methanidyl-2-(2-pyrazol-1-ylethyl)piperidin-1-ium is sourced from PubChem (CID 123509905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).