4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole

C11H15IN4 — CID 114532902

IUPAC4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
SMILESCc1nn(CCc2nccn2C)c(C)c1I
InChIInChI=1S/C11H15IN4/c1-8-11(12)9(2)16(14-8)6-4-10-13-5-7-15(10)3/h5,7H,4,6H2,1-3H3
InChIKeyNJPMEQQGPWWIMM-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.08
Rot. Bonds3

About 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole

4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole (PubChem CID 114532902) has the molecular formula C11H15IN4 and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole.

Molecular Properties

Compound Name4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
PubChem CID114532902
Molecular FormulaC11H15IN4
Molecular Weight330.17 g/mol
Exact Mass330.03
IUPAC Name4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole
SMILESCc1nn(CCc2nccn2C)c(C)c1I
InChIInChI=1S/C11H15IN4/c1-8-11(12)9(2)16(14-8)6-4-10-13-5-7-15(10)3/h5,7H,4,6H2,1-3H3
InChIKeyNJPMEQQGPWWIMM-UHFFFAOYSA-N
XLogP2.08
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.08
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-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]-N-ethylethanamine
CID 114532016
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 114532019
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
[2-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methanamine
CID 114531647
1-methyl-2-[2-(3-methylpyrazol-1-yl)ethyl]imidazole
CID 114531887
5-methyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 114528404
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
azane;1-methyl-2-propylimidazole
CID 174525892
4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762041
2-(fluoromethyl)-1-methylimidazole
CID 11679811
methanamine;1-methyl-2-propylimidazole
CID 164902083

Frequently Asked Questions

What is the IUPAC name of 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The IUPAC name of 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole (CID 114532902) is 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole.
What is the SMILES notation for 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The canonical SMILES for 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole is Cc1nn(CCc2nccn2C)c(C)c1I.
What is the InChIKey of 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
The InChIKey is NJPMEQQGPWWIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN4/c1-8-11(12)9(2)16(14-8)6-4-10-13-5-7-15(10)3/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole?
4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole has a molecular weight of 330.17 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazole is sourced from PubChem (CID 114532902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).