1-ethyl-4-iodo-3,5-dimethylpyrazole

C7H11IN2 — CID 51063680

IUPAC1-ethyl-4-iodo-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(I)c1C
InChIInChI=1S/C7H11IN2/c1-4-10-6(3)7(8)5(2)9-10/h4H2,1-3H3
InChIKeyLCEVIOMNOSQCQS-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.12
Rot. Bonds1

About 1-ethyl-4-iodo-3,5-dimethylpyrazole

1-ethyl-4-iodo-3,5-dimethylpyrazole (PubChem CID 51063680) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 1-ethyl-4-iodo-3,5-dimethylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-iodo-3,5-dimethylpyrazole
PubChem CID51063680
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name1-ethyl-4-iodo-3,5-dimethylpyrazole
SMILESCCn1nc(C)c(I)c1C
InChIInChI=1S/C7H11IN2/c1-4-10-6(3)7(8)5(2)9-10/h4H2,1-3H3
InChIKeyLCEVIOMNOSQCQS-UHFFFAOYSA-N
XLogP2.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethyl-4-iodo-3,5-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-iodo-3,5-dimethylpyrazol-1-yl)-2-methylpropan-2-ol
CID 164946156
4-iodo-1-(3-methoxypropyl)-3,5-dimethylpyrazole
CID 79785419
4-iodo-3,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrazole
CID 112592599
2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethanamine;hydrochloride
CID 71755396
4-(chloromethyl)-1-ethyl-3,5-dimethylpyrazole
CID 43648133
1-[(4-fluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784476
1-[(3,5-difluorophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 105411276
4-(1-ethyl-4-iodo-5-methylpyrazol-3-yl)pyridine
CID 121211618
1-[(4-bromophenyl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79784286
4-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,5-dimethylpyrazole
CID 104568877
1-[(2,5-dimethylpyrazol-3-yl)methyl]-4-iodo-3,5-dimethylpyrazole
CID 79785136
4-(2-bromoethyl)-1-ethyl-3,5-dimethylpyrazole
CID 103027318

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-iodo-3,5-dimethylpyrazole?
The IUPAC name of 1-ethyl-4-iodo-3,5-dimethylpyrazole (CID 51063680) is 1-ethyl-4-iodo-3,5-dimethylpyrazole.
What is the SMILES notation for 1-ethyl-4-iodo-3,5-dimethylpyrazole?
The canonical SMILES for 1-ethyl-4-iodo-3,5-dimethylpyrazole is CCn1nc(C)c(I)c1C.
What is the InChIKey of 1-ethyl-4-iodo-3,5-dimethylpyrazole?
The InChIKey is LCEVIOMNOSQCQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-4-10-6(3)7(8)5(2)9-10/h4H2,1-3H3.
What are the key properties of 1-ethyl-4-iodo-3,5-dimethylpyrazole?
1-ethyl-4-iodo-3,5-dimethylpyrazole has a molecular weight of 250.08 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-iodo-3,5-dimethylpyrazole is sourced from PubChem (CID 51063680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).