1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole

C13H20N4 — CID 58951839

IUPAC1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole
SMILESCCc1nn(CC)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C13H20N4/c1-4-11-10(9-13-14-7-8-15-13)12(5-2)17(6-3)16-11/h7-8H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyGDKARBYNFALVAI-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds5

About 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole

1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole (PubChem CID 58951839) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole
PubChem CID58951839
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole
SMILESCCc1nn(CC)c(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C13H20N4/c1-4-11-10(9-13-14-7-8-15-13)12(5-2)17(6-3)16-11/h7-8H,4-6,9H2,1-3H3,(H,14,15)
InChIKeyGDKARBYNFALVAI-UHFFFAOYSA-N
XLogP2.34
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole?
The IUPAC name of 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole (CID 58951839) is 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole.
What is the SMILES notation for 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole?
The canonical SMILES for 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole is CCc1nn(CC)c(CC)c1Cc1ncc[nH]1.
What is the InChIKey of 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole?
The InChIKey is GDKARBYNFALVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-4-11-10(9-13-14-7-8-15-13)12(5-2)17(6-3)16-11/h7-8H,4-6,9H2,1-3H3,(H,14,15).
What are the key properties of 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole?
1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole has a molecular weight of 232.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-triethyl-4-(1H-imidazol-2-ylmethyl)pyrazole is sourced from PubChem (CID 58951839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).