4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine

C12H14FN3 — CID 117312379

IUPAC4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(CF)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(6-13)5-10(8)11-7-15-16(2)12(11)14/h3-5,7H,6,14H2,1-2H3
InChIKeyZTBFUNKZGQCFFT-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.45
Rot. Bonds2

About 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine

4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine (PubChem CID 117312379) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
PubChem CID117312379
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
SMILESCc1ccc(CF)cc1-c1cnn(C)c1N
InChIInChI=1S/C12H14FN3/c1-8-3-4-9(6-13)5-10(8)11-7-15-16(2)12(11)14/h3-5,7H,6,14H2,1-2H3
InChIKeyZTBFUNKZGQCFFT-UHFFFAOYSA-N
XLogP2.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-ethyl-2,3-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117331158
4-(2-fluoro-4,5-dimethylphenyl)-1-methylpyrazol-5-amine
CID 117312373
4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
2-(5-amino-1-methylpyrazol-4-yl)-4,5-dimethylphenol
CID 117309642
4-(5-ethyl-2-propan-2-ylphenyl)-1-methylpyrazol-5-amine
CID 117360841
4-(5-ethyl-4-fluoro-2-methylphenyl)-1-methylpyrazol-5-amine
CID 117338339
4-(2,5-difluoro-4-methylphenyl)-1-methylpyrazol-5-amine
CID 117319250
4-[3-fluoro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117319241
4-(3-bromo-5-ethyl-2-fluorophenyl)-1-methylpyrazol-5-amine
CID 117479931
4-[2-fluoro-4-(methoxymethyl)phenyl]-1-methylpyrazol-5-amine
CID 117342045
4-[3-chloro-2-(fluoromethyl)phenyl]-1-methylpyrazol-5-amine
CID 117351866
4-(5-amino-1-methylpyrazol-4-yl)-2-ethyl-5-methylphenol
CID 117334699

Frequently Asked Questions

What is the IUPAC name of 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine?
The IUPAC name of 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine (CID 117312379) is 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine.
What is the SMILES notation for 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine?
The canonical SMILES for 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine is Cc1ccc(CF)cc1-c1cnn(C)c1N.
What is the InChIKey of 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine?
The InChIKey is ZTBFUNKZGQCFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8-3-4-9(6-13)5-10(8)11-7-15-16(2)12(11)14/h3-5,7H,6,14H2,1-2H3.
What are the key properties of 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine?
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine has a molecular weight of 219.26 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine is sourced from PubChem (CID 117312379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).