1,2-dimethyl-3,4-dihydropyrazol-1-ium

C5H11N2+ — CID 23279195

IUPAC1,2-dimethyl-3,4-dihydropyrazol-1-ium
SMILESCN1CCC=[N+]1C
InChIInChI=1S/C5H11N2/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3/q+1
InChIKeyNKHXSAMAVTTYAB-UHFFFAOYSA-N
MW99.16 g/mol
LogP-0.05
Rot. Bonds

About 1,2-dimethyl-3,4-dihydropyrazol-1-ium

1,2-dimethyl-3,4-dihydropyrazol-1-ium (PubChem CID 23279195) has the molecular formula C5H11N2+ and a molecular weight of 99.16 g/mol. Its IUPAC name is 1,2-dimethyl-3,4-dihydropyrazol-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-3,4-dihydropyrazol-1-ium
PubChem CID23279195
Molecular FormulaC5H11N2+
Molecular Weight99.16 g/mol
Exact Mass99.09
IUPAC Name1,2-dimethyl-3,4-dihydropyrazol-1-ium
SMILESCN1CCC=[N+]1C
InChIInChI=1S/C5H11N2/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3/q+1
InChIKeyNKHXSAMAVTTYAB-UHFFFAOYSA-N
XLogP-0.05
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4,5-Dihydro-1,5-dimethyl-1H-pyrazole
CID 21996
Propanal, dimethylhydrazone
CID 5962214
Propanal dimethylhydrazone
CID 343142
Butanal dimethylhydrazone
CID 517836
1-Isopropyl-5-methyl-2-pyrazoline
CID 573933
Butanal, dimethylhydrazone
CID 9601578
2-Pyrazoline, 1,5,5-trimethyl
CID 823525
2-Pyrazoline, 1-ethyl-5-methyl
CID 91751204
1-Methyl-4,5-dihydro-1H-pyrazole
CID 13330488
2-Pyrazoline, 4-ethyl-1-methyl-
CID 557773
Butyl-4,5-dihydro-1h-pyrazole
CID 19604016
4,5-Dihydro-1,4-dimethyl-1H-pyrazole
CID 54031007

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3,4-dihydropyrazol-1-ium?
The IUPAC name of 1,2-dimethyl-3,4-dihydropyrazol-1-ium (CID 23279195) is 1,2-dimethyl-3,4-dihydropyrazol-1-ium.
What is the SMILES notation for 1,2-dimethyl-3,4-dihydropyrazol-1-ium?
The canonical SMILES for 1,2-dimethyl-3,4-dihydropyrazol-1-ium is CN1CCC=[N+]1C.
What is the InChIKey of 1,2-dimethyl-3,4-dihydropyrazol-1-ium?
The InChIKey is NKHXSAMAVTTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N2/c1-6-4-3-5-7(6)2/h4H,3,5H2,1-2H3/q+1.
What are the key properties of 1,2-dimethyl-3,4-dihydropyrazol-1-ium?
1,2-dimethyl-3,4-dihydropyrazol-1-ium has a molecular weight of 99.16 g/mol, XLogP of -0.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3,4-dihydropyrazol-1-ium is sourced from PubChem (CID 23279195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).