4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole

C12H13FN2 — CID 121385904

IUPAC4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
SMILESCc1ccc(-c2cnn(C)c2C)cc1F
InChIInChI=1S/C12H13FN2/c1-8-4-5-10(6-12(8)13)11-7-14-15(3)9(11)2/h4-7H,1-3H3
InChIKeyWHMGAMARRAJATB-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.84
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole

4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole (PubChem CID 121385904) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
PubChem CID121385904
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole
SMILESCc1ccc(-c2cnn(C)c2C)cc1F
InChIInChI=1S/C12H13FN2/c1-8-4-5-10(6-12(8)13)11-7-14-15(3)9(11)2/h4-7H,1-3H3
InChIKeyWHMGAMARRAJATB-UHFFFAOYSA-N
XLogP2.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]propan-2-amine
CID 66097006
N-[[5-(1,5-dimethylpyrazol-4-yl)-2-fluorophenyl]methyl]cyclopropanamine
CID 66099317
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(3-fluoro-4-methylphenyl)-1,3-dimethylpyrazole
CID 155276309
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207
3-(1,5-dimethylpyrazol-4-yl)-5-[(3-fluoro-4-methylphenoxy)methyl]-1,2-oxazole
CID 99839244
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
5-(1,5-dimethylpyrazol-4-yl)-2-methoxybenzaldehyde
CID 66097421
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
ethane;4-fluoro-1,5-dimethylpyrazole
CID 143958566
7-fluoro-4-(3-fluoro-4-methylphenyl)-2-methylindazole
CID 166076510
1,2,4-trichloro-5-(3-fluoro-4-methylphenyl)benzene
CID 134626862

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole (CID 121385904) is 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole is Cc1ccc(-c2cnn(C)c2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole?
The InChIKey is WHMGAMARRAJATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-8-4-5-10(6-12(8)13)11-7-14-15(3)9(11)2/h4-7H,1-3H3.
What are the key properties of 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole?
4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole has a molecular weight of 204.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-1,5-dimethylpyrazole is sourced from PubChem (CID 121385904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).