4-iodo-5-methyl-1H-pyrazol-3-amine

C4H6IN3 — CID 12831627

IUPAC4-iodo-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1I
InChIInChI=1S/C4H6IN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyFXVKMQDLYRBZPP-UHFFFAOYSA-N
MW223.02 g/mol
LogP0.90
Rot. Bonds

About 4-iodo-5-methyl-1H-pyrazol-3-amine

4-iodo-5-methyl-1H-pyrazol-3-amine (PubChem CID 12831627) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is 4-iodo-5-methyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-5-methyl-1H-pyrazol-3-amine
PubChem CID12831627
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC Name4-iodo-5-methyl-1H-pyrazol-3-amine
SMILESCc1[nH]nc(N)c1I
InChIInChI=1S/C4H6IN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8)
InChIKeyFXVKMQDLYRBZPP-UHFFFAOYSA-N
XLogP0.90
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-4-bromo-5-methylpyrazole
CID 1241299
4-chloro-5-methyl-1H-pyrazol-3-amine
CID 1380716
4-chloro-5-methyl-1H-pyrazol-3-amine Hydrochloride
CID 2827048
1H-Pyrazol-3-amine, 5-methyl-
CID 93146
5-Amino-4-bromo-3-methylpyrazole hydrobromide
CID 2778427
5-Methyl-1H-pyrazole-3,4-diamine
CID 15413224
5-iodo-3,4-dimethyl-1H-pyrazole
CID 22088055
4,5-Dimethyl-1H-pyrazol-3-ylamine hydrochloride
CID 51071980
4-chloro-5-hydrazinyl-3-methyl-1H-pyrazole
CID 1380715
3-ethyl-4-iodo-1H-pyrazol-5-amine
CID 112693857
4,5-dimethyl-1H-pyrazol-3-amine
CID 4737029
4-Iodo-5-(trifluoromethyl)-1H-pyrazol-3-amine
CID 91666192

Frequently Asked Questions

What is the IUPAC name of 4-iodo-5-methyl-1H-pyrazol-3-amine?
The IUPAC name of 4-iodo-5-methyl-1H-pyrazol-3-amine (CID 12831627) is 4-iodo-5-methyl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-iodo-5-methyl-1H-pyrazol-3-amine?
The canonical SMILES for 4-iodo-5-methyl-1H-pyrazol-3-amine is Cc1[nH]nc(N)c1I.
What is the InChIKey of 4-iodo-5-methyl-1H-pyrazol-3-amine?
The InChIKey is FXVKMQDLYRBZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IN3/c1-2-3(5)4(6)8-7-2/h1H3,(H3,6,7,8).
What are the key properties of 4-iodo-5-methyl-1H-pyrazol-3-amine?
4-iodo-5-methyl-1H-pyrazol-3-amine has a molecular weight of 223.02 g/mol, XLogP of 0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-5-methyl-1H-pyrazol-3-amine is sourced from PubChem (CID 12831627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).