3,5-dimethyl-1H-pyrazol-2-ium

C5H9N2+ — CID 4276549

IUPAC3,5-dimethyl-1H-pyrazol-2-ium
SMILESCc1cc(C)[nH+][nH]1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)/p+1
InChIKeySDXAWLJRERMRKF-UHFFFAOYSA-O
MW97.14 g/mol
LogP0.45
Rot. Bonds

About 3,5-dimethyl-1H-pyrazol-2-ium

3,5-dimethyl-1H-pyrazol-2-ium (PubChem CID 4276549) has the molecular formula C5H9N2+ and a molecular weight of 97.14 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyrazol-2-ium.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyrazol-2-ium
PubChem CID4276549
Molecular FormulaC5H9N2+
Molecular Weight97.14 g/mol
Exact Mass97.08
IUPAC Name3,5-dimethyl-1H-pyrazol-2-ium
SMILESCc1cc(C)[nH+][nH]1
InChIInChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)/p+1
InChIKeySDXAWLJRERMRKF-UHFFFAOYSA-O
XLogP0.45
TPSA29.93 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50097.14
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyrazol-2-ium?
The IUPAC name of 3,5-dimethyl-1H-pyrazol-2-ium (CID 4276549) is 3,5-dimethyl-1H-pyrazol-2-ium.
What is the SMILES notation for 3,5-dimethyl-1H-pyrazol-2-ium?
The canonical SMILES for 3,5-dimethyl-1H-pyrazol-2-ium is Cc1cc(C)[nH+][nH]1.
What is the InChIKey of 3,5-dimethyl-1H-pyrazol-2-ium?
The InChIKey is SDXAWLJRERMRKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H8N2/c1-4-3-5(2)7-6-4/h3H,1-2H3,(H,6,7)/p+1.
What are the key properties of 3,5-dimethyl-1H-pyrazol-2-ium?
3,5-dimethyl-1H-pyrazol-2-ium has a molecular weight of 97.14 g/mol, XLogP of 0.45, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyrazol-2-ium is sourced from PubChem (CID 4276549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).