ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole

C13H17FN2 — CID 145347331

IUPACethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole
SMILESCC.Cc1cc(F)cc(-n2cc(C)cn2)c1
InChIInChI=1S/C11H11FN2.C2H6/c1-8-3-10(12)5-11(4-8)14-7-9(2)6-13-14;1-2/h3-7H,1-2H3;1-2H3
InChIKeySDDBUBKAWIPIEC-UHFFFAOYSA-N
MW220.29 g/mol
LogP3.65
Rot. Bonds1

About ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole

ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole (PubChem CID 145347331) has the molecular formula C13H17FN2 and a molecular weight of 220.29 g/mol. Its IUPAC name is ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole.

Molecular Properties

Compound Nameethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole
PubChem CID145347331
Molecular FormulaC13H17FN2
Molecular Weight220.29 g/mol
Exact Mass220.14
IUPAC Nameethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole
SMILESCC.Cc1cc(F)cc(-n2cc(C)cn2)c1
InChIInChI=1S/C11H11FN2.C2H6/c1-8-3-10(12)5-11(4-8)14-7-9(2)6-13-14;1-2/h3-7H,1-2H3;1-2H3
InChIKeySDDBUBKAWIPIEC-UHFFFAOYSA-N
XLogP3.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole with MolForge

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

Launch Full Analysis

Related Compounds

3-fluoro-5-(4-methylpyrazol-1-yl)aniline
CID 80751942
[3-fluoro-5-(4-methylpyrazol-1-yl)phenyl]methanamine
CID 102814406
1-(4-chloro-3-fluorophenyl)-4-methylpyrazole
CID 79149054
4-(bromomethyl)-1-(3-fluoro-5-methylphenyl)triazole
CID 79046943
1-(3,4-dimethylphenyl)-4-methylpyrazole
CID 148851288
cobalt(2+);bis(4-methyl-2,6-bis(4-methylpyrazol-1-yl)pyridine)
CID 140695209
3-bromo-5-(4-methylpyrazol-1-yl)pyridine
CID 66521251
3-fluoro-N'-(2-fluorophenyl)sulfonyl-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298783
[3-(4-methylpyrazol-1-yl)phenyl]boronic acid
CID 86208031
4-fluoro-6-(4-methylpyrazol-1-yl)pyrimidine
CID 115417252
2-(4-fluorophenyl)-5-(4-methylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine
CID 90241443
2-[1-(3-fluoro-5-methylphenyl)triazol-4-yl]ethanamine
CID 116641620

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole?
The IUPAC name of ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole (CID 145347331) is ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole.
What is the SMILES notation for ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole?
The canonical SMILES for ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole is CC.Cc1cc(F)cc(-n2cc(C)cn2)c1.
What is the InChIKey of ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole?
The InChIKey is SDDBUBKAWIPIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2.C2H6/c1-8-3-10(12)5-11(4-8)14-7-9(2)6-13-14;1-2/h3-7H,1-2H3;1-2H3.
What are the key properties of ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole?
ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole has a molecular weight of 220.29 g/mol, XLogP of 3.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-fluoro-5-methylphenyl)-4-methylpyrazole is sourced from PubChem (CID 145347331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).