4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole

C10H13ClN4 — CID 106720678

IUPAC4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
SMILESCn1cc(CCn2cnc(CCl)c2)cn1
InChIInChI=1S/C10H13ClN4/c1-14-6-9(5-13-14)2-3-15-7-10(4-11)12-8-15/h5-8H,2-4H2,1H3
InChIKeyPRKBDNIVRFZJHA-UHFFFAOYSA-N
MW224.70 g/mol
LogP1.60
Rot. Bonds4

About 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole

4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole (PubChem CID 106720678) has the molecular formula C10H13ClN4 and a molecular weight of 224.70 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole.

Molecular Properties

Compound Name4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
PubChem CID106720678
Molecular FormulaC10H13ClN4
Molecular Weight224.70 g/mol
Exact Mass224.08
IUPAC Name4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole
SMILESCn1cc(CCn2cnc(CCl)c2)cn1
InChIInChI=1S/C10H13ClN4/c1-14-6-9(5-13-14)2-3-15-7-10(4-11)12-8-15/h5-8H,2-4H2,1H3
InChIKeyPRKBDNIVRFZJHA-UHFFFAOYSA-N
XLogP1.60
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.70
LogP ≤ 51.60
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-[[1-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719484
1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole-4-carbaldehyde
CID 106716759
4-(chloromethyl)-1-[(1-ethylpyrazol-4-yl)methyl]imidazole
CID 106720874
N-[2-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]ethyl]propan-1-amine
CID 79985929
N-[[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719500
4-(chloromethyl)-1-(2-thiophen-2-ylethyl)imidazole
CID 106720766
[2-methyl-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methanamine
CID 103015784
1-methyl-4-propylpyrazole;propane
CID 155742221
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
4-(2-bromoethyl)-1-methylpyrazole
CID 54593836
1-[1-[(1-methylpyrazol-4-yl)methyl]imidazol-4-yl]butan-2-amine
CID 106721377
6-chloro-1-(1-methylpyrazol-4-yl)hexan-3-ol
CID 103008236

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The IUPAC name of 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole (CID 106720678) is 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole.
What is the SMILES notation for 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The canonical SMILES for 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole is Cn1cc(CCn2cnc(CCl)c2)cn1.
What is the InChIKey of 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
The InChIKey is PRKBDNIVRFZJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4/c1-14-6-9(5-13-14)2-3-15-7-10(4-11)12-8-15/h5-8H,2-4H2,1H3.
What are the key properties of 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole?
4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole has a molecular weight of 224.70 g/mol, XLogP of 1.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[2-(1-methylpyrazol-4-yl)ethyl]imidazole is sourced from PubChem (CID 106720678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).