5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium

C8H11N4+ — CID 147102514

IUPAC5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium
SMILESCc1cc[n+](Cc2ccn[nH]2)[nH]1
InChIInChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10)/p+1
InChIKeySGAZXZQDNNNYLE-UHFFFAOYSA-O
MW163.20 g/mol
LogP0.38
Rot. Bonds2

About 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium

5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium (PubChem CID 147102514) has the molecular formula C8H11N4+ and a molecular weight of 163.20 g/mol. Its IUPAC name is 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium.

Molecular Properties

Compound Name5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium
PubChem CID147102514
Molecular FormulaC8H11N4+
Molecular Weight163.20 g/mol
Exact Mass163.10
IUPAC Name5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium
SMILESCc1cc[n+](Cc2ccn[nH]2)[nH]1
InChIInChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10)/p+1
InChIKeySGAZXZQDNNNYLE-UHFFFAOYSA-O
XLogP0.38
TPSA48.35 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Ethyl-N-methyl-1H-pyrazole-5-methanamine
CID 672403
1-(1-ethyl-1H-pyrazol-3-yl)-N-methylmethanamine
CID 672402
2-(5-Methyl-pyrazol-1-yl)-ethylamine
CID 3157298
(1-ethyl-1H-pyrazol-5-yl)methanamine
CID 1257624
1-Ethyl-1H-pyrazole-3-methanamine
CID 4715094
methyl((1-methyl-1H-pyrazol-3-yl)methyl)amine
CID 7019424
(1-propyl-1H-pyrazol-5-yl)methanamine
CID 19576790
[1-(propan-2-yl)-1H-pyrazol-5-yl]methanamine
CID 23005976
[1-(propan-2-yl)-1H-pyrazol-3-yl]methanamine
CID 23006006
2-(3-Methyl-pyrazol-1-yl)-ethylamine
CID 3157297
[(1-propyl-1H-pyrazol-3-yl)methyl]amine
CID 19576818
methyl({[1-(propan-2-yl)-1H-pyrazol-5-yl]methyl})amine
CID 23005985

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium?
The IUPAC name of 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium (CID 147102514) is 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium.
What is the SMILES notation for 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium?
The canonical SMILES for 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium is Cc1cc[n+](Cc2ccn[nH]2)[nH]1.
What is the InChIKey of 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium?
The InChIKey is SGAZXZQDNNNYLE-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H10N4/c1-7-3-5-12(11-7)6-8-2-4-9-10-8/h2-5H,6H2,1H3,(H,9,10)/p+1.
What are the key properties of 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium?
5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium has a molecular weight of 163.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(1H-pyrazol-5-ylmethyl)-1H-pyrazol-2-ium is sourced from PubChem (CID 147102514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).