4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole

C12H13FN2 — CID 90292619

IUPAC4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
SMILESCCc1cc(F)c(-c2cn[nH]c2)cc1C
InChIInChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZSWMKNPGPNAPTF-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.09
Rot. Bonds2

About 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole

4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole (PubChem CID 90292619) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
PubChem CID90292619
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole
SMILESCCc1cc(F)c(-c2cn[nH]c2)cc1C
InChIInChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15)
InChIKeyZSWMKNPGPNAPTF-UHFFFAOYSA-N
XLogP3.09
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole 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

4-(4-fluoro-3-methylphenyl)-1H-pyrazole
CID 118018809
4-(2-bromo-4,5-difluorophenyl)-1H-pyrazole
CID 139299055
3,4-difluoro-2-methyl-5-(1H-pyrazol-4-yl)phenol
CID 90292645
1-amino-1-(4-chlorophenyl)-3-[5-fluoro-2-methoxy-4-(1H-pyrazol-4-yl)phenyl]propan-2-one
CID 58142647
N-tert-butylhexan-3-amine;4-[4-[(3Z,5Z)-4,5-dimethylhepta-1,3,5-trien-2-yl]-2-fluoro-5-methylphenyl]-1H-pyrazole
CID 153348454
2-[3-ethyl-4-(1H-pyrazol-4-yl)phenyl]-5-methyl-4H-1,2,4-triazol-3-one
CID 158684402
4-(2-fluorophenyl)-1H-pyrazole;hydrochloride
CID 66953451
tert-butyl 3-fluoro-4-(1H-pyrazol-4-yl)benzoate
CID 167421559
3-amino-1-(4-chlorophenyl)-1-[3-fluoro-4-(1H-pyrazol-4-yl)phenyl]propan-1-ol
CID 15603477
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
5-ethyl-1H-pyridazin-4-one
CID 170791784
2-[2-fluoro-5-(1H-pyrazol-4-yl)-4-pyridin-4-ylphenyl]-N,N-dimethylethanamine
CID 140512408

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The IUPAC name of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole (CID 90292619) is 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole.
What is the SMILES notation for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The canonical SMILES for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole is CCc1cc(F)c(-c2cn[nH]c2)cc1C.
What is the InChIKey of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
The InChIKey is ZSWMKNPGPNAPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-3-9-5-12(13)11(4-8(9)2)10-6-14-15-7-10/h4-7H,3H2,1-2H3,(H,14,15).
What are the key properties of 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole?
4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole has a molecular weight of 204.25 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-fluoro-5-methylphenyl)-1H-pyrazole is sourced from PubChem (CID 90292619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).