1,5-di(propan-2-yl)-3H-pyrazol-1-ium

C9H17N2+ — CID 163719266

IUPAC1,5-di(propan-2-yl)-3H-pyrazol-1-ium
SMILESCC(C)C1=CCN=[N+]1C(C)C
InChIInChI=1S/C9H17N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8H,6H2,1-4H3/q+1
InChIKeyWTFNZDWZMAVSRS-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.41
Rot. Bonds2

About 1,5-di(propan-2-yl)-3H-pyrazol-1-ium

1,5-di(propan-2-yl)-3H-pyrazol-1-ium (PubChem CID 163719266) has the molecular formula C9H17N2+ and a molecular weight of 153.25 g/mol. Its IUPAC name is 1,5-di(propan-2-yl)-3H-pyrazol-1-ium.

Molecular Properties

Compound Name1,5-di(propan-2-yl)-3H-pyrazol-1-ium
PubChem CID163719266
Molecular FormulaC9H17N2+
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name1,5-di(propan-2-yl)-3H-pyrazol-1-ium
SMILESCC(C)C1=CCN=[N+]1C(C)C
InChIInChI=1S/C9H17N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8H,6H2,1-4H3/q+1
InChIKeyWTFNZDWZMAVSRS-UHFFFAOYSA-N
XLogP2.41
TPSA15.37 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,5-di(propan-2-yl)-3H-pyrazol-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

3,5-di(propan-2-yl)-3H-pyrazole
CID 58574928
1,5-Di(propan-2-yl)-2,3-dihydropyrrole
CID 59559329
1-butyl-2,3,5-trimethyl-3H-pyrazole
CID 86249096
1-ethyl-2,3,5-trimethyl-3H-pyrazole
CID 86249110
1,3,5-trimethyl-2-propyl-3H-pyrazole
CID 86249112
2-butyl-1,3,5-trimethyl-3H-pyrazole
CID 89400345
2-ethyl-1,3,5-trimethyl-3H-pyrazole
CID 89400366
1-Ethyl-5-propan-2-yl-2,3-dihydropyrrole
CID 89630866
3-ethyl-6-propan-2-yl-4H-triazine
CID 91335343
(5E)-4-[(E)-but-1-enyl]-3-methyl-5-(2-methylpropylidene)-4H-triazole
CID 91467666
(E)-N,5-dimethyl-N-propan-2-ylhex-3-en-3-amine
CID 134597011
(Z)-N,4-dimethyl-N-propan-2-ylpent-2-en-3-amine
CID 135253822

Frequently Asked Questions

What is the IUPAC name of 1,5-di(propan-2-yl)-3H-pyrazol-1-ium?
The IUPAC name of 1,5-di(propan-2-yl)-3H-pyrazol-1-ium (CID 163719266) is 1,5-di(propan-2-yl)-3H-pyrazol-1-ium.
What is the SMILES notation for 1,5-di(propan-2-yl)-3H-pyrazol-1-ium?
The canonical SMILES for 1,5-di(propan-2-yl)-3H-pyrazol-1-ium is CC(C)C1=CCN=[N+]1C(C)C.
What is the InChIKey of 1,5-di(propan-2-yl)-3H-pyrazol-1-ium?
The InChIKey is WTFNZDWZMAVSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-7(2)9-5-6-10-11(9)8(3)4/h5,7-8H,6H2,1-4H3/q+1.
What are the key properties of 1,5-di(propan-2-yl)-3H-pyrazol-1-ium?
1,5-di(propan-2-yl)-3H-pyrazol-1-ium has a molecular weight of 153.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-di(propan-2-yl)-3H-pyrazol-1-ium is sourced from PubChem (CID 163719266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).