5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole

C9H11ClN4 — CID 66150644

IUPAC5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
SMILESCn1nccc1Cn1cncc1CCl
InChIInChI=1S/C9H11ClN4/c1-13-8(2-3-12-13)6-14-7-11-5-9(14)4-10/h2-3,5,7H,4,6H2,1H3
InChIKeyOQEPIDJKSXPBOM-UHFFFAOYSA-N
MW210.67 g/mol
LogP1.40
Rot. Bonds3

About 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole

5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole (PubChem CID 66150644) has the molecular formula C9H11ClN4 and a molecular weight of 210.67 g/mol. Its IUPAC name is 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole.

Molecular Properties

Compound Name5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
PubChem CID66150644
Molecular FormulaC9H11ClN4
Molecular Weight210.67 g/mol
Exact Mass210.07
IUPAC Name5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole
SMILESCn1nccc1Cn1cncc1CCl
InChIInChI=1S/C9H11ClN4/c1-13-8(2-3-12-13)6-14-7-11-5-9(14)4-10/h2-3,5,7H,4,6H2,1H3
InChIKeyOQEPIDJKSXPBOM-UHFFFAOYSA-N
XLogP1.40
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.67
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 66149938
5-(chloromethyl)-1-[(5-ethylthiophen-2-yl)methyl]imidazole
CID 106005568
3-[[5-(chloromethyl)imidazol-1-yl]methyl]pyridazine
CID 106898071
5-(chloromethyl)-1-(furan-2-ylmethyl)imidazole;hydrochloride
CID 18673584
3-[3-[(2-methylpyrazol-3-yl)methyl]imidazol-4-yl]piperidine
CID 114706130
5-(chloromethyl)-1-(3-fluoropropyl)imidazole
CID 130504730
(1S)-1-[3-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-4-yl]ethanamine
CID 103013036
1-methyl-5-[(2-methylimidazol-1-yl)methyl]pyrazole
CID 131018890
5-(chloromethyl)-1-decylimidazole
CID 18670803
5-(chloromethyl)-1-[(2-fluorophenyl)methyl]imidazole
CID 18670887
3-[2-[5-(chloromethyl)imidazol-1-yl]ethyl]pyridine
CID 66152277
2-[5-(chloromethyl)imidazol-1-yl]-N-ethyl-N-methylethanamine
CID 66149177

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole?
The IUPAC name of 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole (CID 66150644) is 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole.
What is the SMILES notation for 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole?
The canonical SMILES for 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole is Cn1nccc1Cn1cncc1CCl.
What is the InChIKey of 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole?
The InChIKey is OQEPIDJKSXPBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4/c1-13-8(2-3-12-13)6-14-7-11-5-9(14)4-10/h2-3,5,7H,4,6H2,1H3.
What are the key properties of 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole?
5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole has a molecular weight of 210.67 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazole is sourced from PubChem (CID 66150644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).