5-(iodomethyl)-1-methylpyrazole

C5H7IN2 — CID 126698907

IUPAC5-(iodomethyl)-1-methylpyrazole
SMILESCn1nccc1CI
InChIInChI=1S/C5H7IN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3
InChIKeyOABQYFNBZWDRHZ-UHFFFAOYSA-N
MW222.03 g/mol
LogP1.36
Rot. Bonds1

About 5-(iodomethyl)-1-methylpyrazole

5-(iodomethyl)-1-methylpyrazole (PubChem CID 126698907) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is 5-(iodomethyl)-1-methylpyrazole.

Molecular Properties

Compound Name5-(iodomethyl)-1-methylpyrazole
PubChem CID126698907
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC Name5-(iodomethyl)-1-methylpyrazole
SMILESCn1nccc1CI
InChIInChI=1S/C5H7IN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3
InChIKeyOABQYFNBZWDRHZ-UHFFFAOYSA-N
XLogP1.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 51.36
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

5-(bromomethyl)-1-methylpyrazole
CID 59589503
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
4-(2-methylpyrazol-3-yl)butanal
CID 103014880
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]methanesulfonamide
CID 119106360
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
(2R)-1,1,1-trifluoro-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008517
(2-methylpyrazol-3-yl)methyl-triphenylphosphanium
CID 86032057
2-[(2-methylpyrazol-3-yl)methoxy]ethanol
CID 164538456
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 19292671

Frequently Asked Questions

What is the IUPAC name of 5-(iodomethyl)-1-methylpyrazole?
The IUPAC name of 5-(iodomethyl)-1-methylpyrazole (CID 126698907) is 5-(iodomethyl)-1-methylpyrazole.
What is the SMILES notation for 5-(iodomethyl)-1-methylpyrazole?
The canonical SMILES for 5-(iodomethyl)-1-methylpyrazole is Cn1nccc1CI.
What is the InChIKey of 5-(iodomethyl)-1-methylpyrazole?
The InChIKey is OABQYFNBZWDRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IN2/c1-8-5(4-6)2-3-7-8/h2-3H,4H2,1H3.
What are the key properties of 5-(iodomethyl)-1-methylpyrazole?
5-(iodomethyl)-1-methylpyrazole has a molecular weight of 222.03 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(iodomethyl)-1-methylpyrazole is sourced from PubChem (CID 126698907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).