5-ethyl-4-(1-iodoethyl)-1H-pyrazole

C7H11IN2 — CID 121446362

IUPAC5-ethyl-4-(1-iodoethyl)-1H-pyrazole
SMILESCCc1[nH]ncc1C(C)I
InChIInChI=1S/C7H11IN2/c1-3-7-6(5(2)8)4-9-10-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyJBNHBHWZHDQMQZ-UHFFFAOYSA-N
MW250.08 g/mol
LogP2.47
Rot. Bonds2

About 5-ethyl-4-(1-iodoethyl)-1H-pyrazole

5-ethyl-4-(1-iodoethyl)-1H-pyrazole (PubChem CID 121446362) has the molecular formula C7H11IN2 and a molecular weight of 250.08 g/mol. Its IUPAC name is 5-ethyl-4-(1-iodoethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-ethyl-4-(1-iodoethyl)-1H-pyrazole
PubChem CID121446362
Molecular FormulaC7H11IN2
Molecular Weight250.08 g/mol
Exact Mass250.00
IUPAC Name5-ethyl-4-(1-iodoethyl)-1H-pyrazole
SMILESCCc1[nH]ncc1C(C)I
InChIInChI=1S/C7H11IN2/c1-3-7-6(5(2)8)4-9-10-7/h4-5H,3H2,1-2H3,(H,9,10)
InChIKeyJBNHBHWZHDQMQZ-UHFFFAOYSA-N
XLogP2.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.08
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(1-iodoethyl)-1H-pyrazole?
The IUPAC name of 5-ethyl-4-(1-iodoethyl)-1H-pyrazole (CID 121446362) is 5-ethyl-4-(1-iodoethyl)-1H-pyrazole.
What is the SMILES notation for 5-ethyl-4-(1-iodoethyl)-1H-pyrazole?
The canonical SMILES for 5-ethyl-4-(1-iodoethyl)-1H-pyrazole is CCc1[nH]ncc1C(C)I.
What is the InChIKey of 5-ethyl-4-(1-iodoethyl)-1H-pyrazole?
The InChIKey is JBNHBHWZHDQMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11IN2/c1-3-7-6(5(2)8)4-9-10-7/h4-5H,3H2,1-2H3,(H,9,10).
What are the key properties of 5-ethyl-4-(1-iodoethyl)-1H-pyrazole?
5-ethyl-4-(1-iodoethyl)-1H-pyrazole has a molecular weight of 250.08 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(1-iodoethyl)-1H-pyrazole is sourced from PubChem (CID 121446362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).