5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole

C11H17IN2 — CID 118995263

IUPAC5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole
SMILESC=Cc1c(I)c(C(C)C)nn1CCC
InChIInChI=1S/C11H17IN2/c1-5-7-14-9(6-2)10(12)11(13-14)8(3)4/h6,8H,2,5,7H2,1,3-4H3
InChIKeyMBZKTEPDHZEPOZ-UHFFFAOYSA-N
MW304.18 g/mol
LogP3.66
Rot. Bonds4

About 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole

5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole (PubChem CID 118995263) has the molecular formula C11H17IN2 and a molecular weight of 304.18 g/mol. Its IUPAC name is 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole.

Molecular Properties

Compound Name5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole
PubChem CID118995263
Molecular FormulaC11H17IN2
Molecular Weight304.18 g/mol
Exact Mass304.04
IUPAC Name5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole
SMILESC=Cc1c(I)c(C(C)C)nn1CCC
InChIInChI=1S/C11H17IN2/c1-5-7-14-9(6-2)10(12)11(13-14)8(3)4/h6,8H,2,5,7H2,1,3-4H3
InChIKeyMBZKTEPDHZEPOZ-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.18
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 61267063
5-ethyl-3-propan-2-yl-1-propylpyrazol-4-ol
CID 166083003
5-ethenyl-1-methyl-4-propan-2-yltriazole
CID 171723470
4-chloro-3-propan-2-yl-1-propylpyrazole
CID 90195347
1-ethyl-3-propan-2-yl-5-propylpyrazol-4-ol
CID 166083036
1-butyl-3,5-di(propan-2-yl)pyrazol-4-ol
CID 166083041
5-(4-methylphenyl)-3-propan-2-yl-1-propyl-6,7-dihydropyrazolo[4,5-e][1,4]diazepin-8-one
CID 22281651
2-amino-1-(1-ethyl-3-propan-2-ylpyrazol-4-yl)ethanol
CID 112713077
5-propan-2-yl-1-propylpyrazole-4-carbaldehyde
CID 112712313
1-butyl-4-propan-2-yl-5-propyltriazole
CID 69385473
2-(4-iodo-3-propan-2-ylpyrazol-1-yl)butanoic acid
CID 154882163
4-ethenyl-1-propylimidazole
CID 118166660

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole?
The IUPAC name of 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole (CID 118995263) is 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole.
What is the SMILES notation for 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole?
The canonical SMILES for 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole is C=Cc1c(I)c(C(C)C)nn1CCC.
What is the InChIKey of 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole?
The InChIKey is MBZKTEPDHZEPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17IN2/c1-5-7-14-9(6-2)10(12)11(13-14)8(3)4/h6,8H,2,5,7H2,1,3-4H3.
What are the key properties of 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole?
5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole has a molecular weight of 304.18 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-4-iodo-3-propan-2-yl-1-propylpyrazole is sourced from PubChem (CID 118995263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).