4-iodo-1-methylpyrazol-3-amine

C4H6IN3 — CID 19802986

IUPAC4-iodo-1-methylpyrazol-3-amine
SMILESCn1cc(I)c(N)n1
InChIInChI=1S/C4H6IN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyJBQVNSOBIFKMSX-UHFFFAOYSA-N
MW223.02 g/mol
LogP0.61
Rot. Bonds

About 4-iodo-1-methylpyrazol-3-amine

4-iodo-1-methylpyrazol-3-amine (PubChem CID 19802986) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is 4-iodo-1-methylpyrazol-3-amine.

Molecular Properties

Compound Name4-iodo-1-methylpyrazol-3-amine
PubChem CID19802986
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC Name4-iodo-1-methylpyrazol-3-amine
SMILESCn1cc(I)c(N)n1
InChIInChI=1S/C4H6IN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7)
InChIKeyJBQVNSOBIFKMSX-UHFFFAOYSA-N
XLogP0.61
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.61
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

2-Methyl-2H-pyrazol-3-ylamine
CID 136927
4-Bromo-1-methyl-1H-pyrazol-5-amine
CID 600351
1-Methyl-3-aminopyrazole
CID 137254
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-Methyl-4-iodo-1H-pyrazole
CID 2734773
4-bromo-1-methyl-1H-pyrazol-3-amine
CID 2735283
1-Methyl-3-amino-4-cyanopyrazole
CID 10654213
4-iodo-1-methyl-1H-pyrazol-5-amine
CID 80365427
1-Ethyl-4-iodo-1H-pyrazole
CID 20058425
3,4-Diiodo-1-methyl-1h-pyrazole
CID 12563623
4-bromo-1-ethyl-1H-pyrazol-3-amine
CID 19619846
1-propyl-1H-pyrazol-3-amine
CID 7017771

Frequently Asked Questions

What is the IUPAC name of 4-iodo-1-methylpyrazol-3-amine?
The IUPAC name of 4-iodo-1-methylpyrazol-3-amine (CID 19802986) is 4-iodo-1-methylpyrazol-3-amine.
What is the SMILES notation for 4-iodo-1-methylpyrazol-3-amine?
The canonical SMILES for 4-iodo-1-methylpyrazol-3-amine is Cn1cc(I)c(N)n1.
What is the InChIKey of 4-iodo-1-methylpyrazol-3-amine?
The InChIKey is JBQVNSOBIFKMSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6IN3/c1-8-2-3(5)4(6)7-8/h2H,1H3,(H2,6,7).
What are the key properties of 4-iodo-1-methylpyrazol-3-amine?
4-iodo-1-methylpyrazol-3-amine has a molecular weight of 223.02 g/mol, XLogP of 0.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methylpyrazol-3-amine is sourced from PubChem (CID 19802986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).