1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole

C9H11FN4 — CID 165170476

IUPAC1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole
SMILESCCn1nc(C)c(F)c1-c1cnc[nH]1
InChIInChI=1S/C9H11FN4/c1-3-14-9(7-4-11-5-12-7)8(10)6(2)13-14/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyQOURYNZHJPBNEB-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.74
Rot. Bonds2

About 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole

1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole (PubChem CID 165170476) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole.

Molecular Properties

Compound Name1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole
PubChem CID165170476
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole
SMILESCCn1nc(C)c(F)c1-c1cnc[nH]1
InChIInChI=1S/C9H11FN4/c1-3-14-9(7-4-11-5-12-7)8(10)6(2)13-14/h4-5H,3H2,1-2H3,(H,11,12)
InChIKeyQOURYNZHJPBNEB-UHFFFAOYSA-N
XLogP1.74
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-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 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole?
The IUPAC name of 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole (CID 165170476) is 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole.
What is the SMILES notation for 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole?
The canonical SMILES for 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole is CCn1nc(C)c(F)c1-c1cnc[nH]1.
What is the InChIKey of 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole?
The InChIKey is QOURYNZHJPBNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c1-3-14-9(7-4-11-5-12-7)8(10)6(2)13-14/h4-5H,3H2,1-2H3,(H,11,12).
What are the key properties of 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole?
1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole has a molecular weight of 194.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-5-(1H-imidazol-5-yl)-3-methylpyrazole is sourced from PubChem (CID 165170476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).