4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine

C12H14FN3 — CID 117312373

IUPAC4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(F)c(-c2cnn(C)c2N)cc1C
InChIInChI=1S/C12H14FN3/c1-7-4-9(11(13)5-8(7)2)10-6-15-16(3)12(10)14/h4-6H,14H2,1-3H3
InChIKeyFOFCEBHKHIOSQY-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.43
Rot. Bonds1

About 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine

4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine (PubChem CID 117312373) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
PubChem CID117312373
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
SMILESCc1cc(F)c(-c2cnn(C)c2N)cc1C
InChIInChI=1S/C12H14FN3/c1-7-4-9(11(13)5-8(7)2)10-6-15-16(3)12(10)14/h4-6H,14H2,1-3H3
InChIKeyFOFCEBHKHIOSQY-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]-1-methylpyrazol-5-amine
CID 117380822
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(3,5-difluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117319251
4-(2-bromo-3-fluoro-5,6-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117479935
4-(5-fluoro-1H-indol-6-yl)-1-methylpyrazol-5-amine
CID 117332308
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
5-(5-amino-1-methylpyrazol-4-yl)-3-fluorobenzene-1,2-diol
CID 117319162
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
2-(5-amino-1-methylpyrazol-4-yl)-4-chloro-6-fluorophenol
CID 117356077
4-(3-chloro-5-fluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117351877

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The IUPAC name of 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine (CID 117312373) is 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine is Cc1cc(F)c(-c2cnn(C)c2N)cc1C.
What is the InChIKey of 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine?
The InChIKey is FOFCEBHKHIOSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-7-4-9(11(13)5-8(7)2)10-6-15-16(3)12(10)14/h4-6H,14H2,1-3H3.
What are the key properties of 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine?
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 117312373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).