3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole

C9H11IN4 — CID 103019424

IUPAC3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
SMILESCn1cc(CCn2ccc(I)n2)cn1
InChIInChI=1S/C9H11IN4/c1-13-7-8(6-11-13)2-4-14-5-3-9(10)12-14/h3,5-7H,2,4H2,1H3
InChIKeyQUFWEUIESZOHPQ-UHFFFAOYSA-N
MW302.12 g/mol
LogP1.46
Rot. Bonds3

About 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole

3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole (PubChem CID 103019424) has the molecular formula C9H11IN4 and a molecular weight of 302.12 g/mol. Its IUPAC name is 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole.

Molecular Properties

Compound Name3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
PubChem CID103019424
Molecular FormulaC9H11IN4
Molecular Weight302.12 g/mol
Exact Mass302.00
IUPAC Name3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole
SMILESCn1cc(CCn2ccc(I)n2)cn1
InChIInChI=1S/C9H11IN4/c1-13-7-8(6-11-13)2-4-14-5-3-9(10)12-14/h3,5-7H,2,4H2,1H3
InChIKeyQUFWEUIESZOHPQ-UHFFFAOYSA-N
XLogP1.46
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-3-yl]methyl]propan-2-amine
CID 103015778
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-methyl-4-propylpyrazole;propane
CID 155742221
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 103015801
[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]methanol
CID 103014198
2-(1-methylpyrazol-3-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 106104866
N-methyl-1-[1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014944
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
2-(4-iodophenyl)-4-(1-methylpyrazol-4-yl)butan-2-ol
CID 114083180
2-[1-[2-(1-methylpyrazol-4-yl)ethyl]triazol-4-yl]propan-2-ol
CID 103014205
4-(2-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]triazole
CID 146140960

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole?
The IUPAC name of 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole (CID 103019424) is 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole.
What is the SMILES notation for 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole?
The canonical SMILES for 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole is Cn1cc(CCn2ccc(I)n2)cn1.
What is the InChIKey of 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole?
The InChIKey is QUFWEUIESZOHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN4/c1-13-7-8(6-11-13)2-4-14-5-3-9(10)12-14/h3,5-7H,2,4H2,1H3.
What are the key properties of 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole?
3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole has a molecular weight of 302.12 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-[2-(1-methylpyrazol-4-yl)ethyl]pyrazole is sourced from PubChem (CID 103019424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).