1,3-dimethylpyrazole;1-iodopropane

C8H15IN2 — CID 143211289

IUPAC1,3-dimethylpyrazole;1-iodopropane
SMILESCCCI.Cc1ccn(C)n1
InChIInChI=1S/C5H8N2.C3H7I/c1-5-3-4-7(2)6-5;1-2-3-4/h3-4H,1-2H3;2-3H2,1H3
InChIKeyADNBHTCFBMCUHM-UHFFFAOYSA-N
MW266.13 g/mol
LogP2.56
Rot. Bonds1

About 1,3-dimethylpyrazole;1-iodopropane

1,3-dimethylpyrazole;1-iodopropane (PubChem CID 143211289) has the molecular formula C8H15IN2 and a molecular weight of 266.13 g/mol. Its IUPAC name is 1,3-dimethylpyrazole;1-iodopropane.

Molecular Properties

Compound Name1,3-dimethylpyrazole;1-iodopropane
PubChem CID143211289
Molecular FormulaC8H15IN2
Molecular Weight266.13 g/mol
Exact Mass266.03
IUPAC Name1,3-dimethylpyrazole;1-iodopropane
SMILESCCCI.Cc1ccn(C)n1
InChIInChI=1S/C5H8N2.C3H7I/c1-5-3-4-7(2)6-5;1-2-3-4/h3-4H,1-2H3;2-3H2,1H3
InChIKeyADNBHTCFBMCUHM-UHFFFAOYSA-N
XLogP2.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.13
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,3-dimethylpyrazole;pyridine
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1,3-dimethylpyrazole;ethane;2-methylfuran
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1-ethyl-3-methylpyrazole
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1,3-dimethylpyrazole;1,5-dimethylpyrazole;1,2-dimethylpyrrole;ethane
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1-iodo-3-methylpyrazole
CID 67613791
3-ethyl-1-methylpyrazole;propane
CID 170573719
argon;ethane;1-ethyl-3-methylpyrazole
CID 160730731
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
tributyl-(1-methylpyrazol-3-yl)stannane
CID 19028447

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylpyrazole;1-iodopropane?
The IUPAC name of 1,3-dimethylpyrazole;1-iodopropane (CID 143211289) is 1,3-dimethylpyrazole;1-iodopropane.
What is the SMILES notation for 1,3-dimethylpyrazole;1-iodopropane?
The canonical SMILES for 1,3-dimethylpyrazole;1-iodopropane is CCCI.Cc1ccn(C)n1.
What is the InChIKey of 1,3-dimethylpyrazole;1-iodopropane?
The InChIKey is ADNBHTCFBMCUHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2.C3H7I/c1-5-3-4-7(2)6-5;1-2-3-4/h3-4H,1-2H3;2-3H2,1H3.
What are the key properties of 1,3-dimethylpyrazole;1-iodopropane?
1,3-dimethylpyrazole;1-iodopropane has a molecular weight of 266.13 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylpyrazole;1-iodopropane is sourced from PubChem (CID 143211289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).