2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole

C9H12N4 — CID 131180193

IUPAC2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole
SMILESCCc1nccn1Cc1ccn[nH]1
InChIInChI=1S/C9H12N4/c1-2-9-10-5-6-13(9)7-8-3-4-11-12-8/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyBRAKQBHJFGYNSG-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.22
Rot. Bonds3

About 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole

2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole (PubChem CID 131180193) has the molecular formula C9H12N4 and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole.

Molecular Properties

Compound Name2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole
PubChem CID131180193
Molecular FormulaC9H12N4
Molecular Weight176.22 g/mol
Exact Mass176.11
IUPAC Name2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole
SMILESCCc1nccn1Cc1ccn[nH]1
InChIInChI=1S/C9H12N4/c1-2-9-10-5-6-13(9)7-8-3-4-11-12-8/h3-6H,2,7H2,1H3,(H,11,12)
InChIKeyBRAKQBHJFGYNSG-UHFFFAOYSA-N
XLogP1.22
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole?
The IUPAC name of 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole (CID 131180193) is 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole.
What is the SMILES notation for 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole?
The canonical SMILES for 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole is CCc1nccn1Cc1ccn[nH]1.
What is the InChIKey of 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole?
The InChIKey is BRAKQBHJFGYNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4/c1-2-9-10-5-6-13(9)7-8-3-4-11-12-8/h3-6H,2,7H2,1H3,(H,11,12).
What are the key properties of 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole?
2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole has a molecular weight of 176.22 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(1H-pyrazol-5-ylmethyl)imidazole is sourced from PubChem (CID 131180193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).