3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole

C12H18N4 — CID 58951682

IUPAC3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C12H18N4/c1-4-10-9(8-12-13-6-7-14-12)11(5-2)16(3)15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyWVKJDCXBTIJLSK-UHFFFAOYSA-N
MW218.30 g/mol
LogP1.86
Rot. Bonds4

About 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole

3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole (PubChem CID 58951682) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole.

Molecular Properties

Compound Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole
PubChem CID58951682
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole
SMILESCCc1nn(C)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C12H18N4/c1-4-10-9(8-12-13-6-7-14-12)11(5-2)16(3)15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14)
InChIKeyWVKJDCXBTIJLSK-UHFFFAOYSA-N
XLogP1.86
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole?
The IUPAC name of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole (CID 58951682) is 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole.
What is the SMILES notation for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole?
The canonical SMILES for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole is CCc1nn(C)c(CC)c1Cc1ncc[nH]1.
What is the InChIKey of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole?
The InChIKey is WVKJDCXBTIJLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-4-10-9(8-12-13-6-7-14-12)11(5-2)16(3)15-10/h6-7H,4-5,8H2,1-3H3,(H,13,14).
What are the key properties of 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole?
3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole has a molecular weight of 218.30 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-(1H-imidazol-2-ylmethyl)-1-methylpyrazole is sourced from PubChem (CID 58951682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).