5-iodo-1,4-dimethylpyrazol-3-amine

C5H8IN3 — CID 135342785

IUPAC5-iodo-1,4-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1I
InChIInChI=1S/C5H8IN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8)
InChIKeyUNZGYMHBFXIPOW-UHFFFAOYSA-N
MW237.04 g/mol
LogP0.92
Rot. Bonds

About 5-iodo-1,4-dimethylpyrazol-3-amine

5-iodo-1,4-dimethylpyrazol-3-amine (PubChem CID 135342785) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is 5-iodo-1,4-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-iodo-1,4-dimethylpyrazol-3-amine
PubChem CID135342785
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC Name5-iodo-1,4-dimethylpyrazol-3-amine
SMILESCc1c(N)nn(C)c1I
InChIInChI=1S/C5H8IN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8)
InChIKeyUNZGYMHBFXIPOW-UHFFFAOYSA-N
XLogP0.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-1,4-dimethylpyrazol-3-amine
CID 83815114
3-amino-5-iodo-1-methylpyrazole-4-carboxamide
CID 137469533
3-tert-butyl-5-iodo-1,4-dimethylpyrazole
CID 146379445
5-cyclobutyl-1,4-dimethylpyrazol-3-amine
CID 83845846
5-cyclopentyl-1,4-dimethylpyrazol-3-amine
CID 83846467
1,4-dimethyl-5-[(Z)-prop-2-enylideneamino]pyrazol-3-amine
CID 144824395
4,5-dimethylpyrazole-1,3-diamine
CID 126508760
3-amino-4-iodo-1-methylpyrazole-5-carboxylic acid;hydrochloride
CID 102565500
4-(aminomethyl)-1-methylpyrazole-3,5-diamine
CID 117123313
3,5-diiodo-1-methyl-4-(trifluoromethyl)pyrazole
CID 162609702
3-iodo-2,6-dimethylindazole
CID 90223545
6-amino-4,5-dibromo-2-methylpyridazin-3-one
CID 170978635

Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,4-dimethylpyrazol-3-amine?
The IUPAC name of 5-iodo-1,4-dimethylpyrazol-3-amine (CID 135342785) is 5-iodo-1,4-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-iodo-1,4-dimethylpyrazol-3-amine?
The canonical SMILES for 5-iodo-1,4-dimethylpyrazol-3-amine is Cc1c(N)nn(C)c1I.
What is the InChIKey of 5-iodo-1,4-dimethylpyrazol-3-amine?
The InChIKey is UNZGYMHBFXIPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-3-4(6)9(2)8-5(3)7/h1-2H3,(H2,7,8).
What are the key properties of 5-iodo-1,4-dimethylpyrazol-3-amine?
5-iodo-1,4-dimethylpyrazol-3-amine has a molecular weight of 237.04 g/mol, XLogP of 0.92, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,4-dimethylpyrazol-3-amine is sourced from PubChem (CID 135342785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).