1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine

C12H12F3N3 — CID 117390611

IUPAC1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccc(CC(F)(F)F)cc2)c1N
InChIInChI=1S/C12H12F3N3/c1-18-11(16)10(7-17-18)9-4-2-8(3-5-9)6-12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyAKUMMWFHJDCWSB-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.77
Rot. Bonds2

About 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine

1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine (PubChem CID 117390611) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
PubChem CID117390611
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine
SMILESCn1ncc(-c2ccc(CC(F)(F)F)cc2)c1N
InChIInChI=1S/C12H12F3N3/c1-18-11(16)10(7-17-18)9-4-2-8(3-5-9)6-12(13,14)15/h2-5,7H,6,16H2,1H3
InChIKeyAKUMMWFHJDCWSB-UHFFFAOYSA-N
XLogP2.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethylphenyl)-1-methylpyrazol-5-amine
CID 62901487
4-(3-fluoro-4-pentan-3-ylphenyl)-1-methylpyrazol-5-amine
CID 117407893
4-[4-(2-methoxyethoxy)phenyl]-1-methylpyrazol-5-amine
CID 117370752
4-(4-bromo-3-fluorophenyl)-1-methylpyrazol-5-amine
CID 117428222
4-(4-cyclopropylsulfanylphenyl)-1-methylpyrazol-5-amine
CID 117365796
1-methyl-4-[4-(1-methylazetidin-3-yl)phenyl]pyrazol-5-amine
CID 117358254
4-[3-(dimethylamino)-4-fluorophenyl]-1-methylpyrazol-5-amine
CID 115112491
4-(4-ethyl-3-methylphenyl)-1-methylpyrazol-5-amine
CID 117307110
4-[5-(fluoromethyl)-2-methylphenyl]-1-methylpyrazol-5-amine
CID 117312379
4-(2,2,2-trifluoroethyl)aniline
CID 14836858
2-[3-(5-amino-1-methylpyrazol-4-yl)phenyl]-2-methylpropan-1-ol
CID 115112459
[4-(1,5-dimethylpyrazol-4-yl)phenyl]methanamine
CID 66097207

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine (CID 117390611) is 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine is Cn1ncc(-c2ccc(CC(F)(F)F)cc2)c1N.
What is the InChIKey of 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine?
The InChIKey is AKUMMWFHJDCWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-18-11(16)10(7-17-18)9-4-2-8(3-5-9)6-12(13,14)15/h2-5,7H,6,16H2,1H3.
What are the key properties of 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine?
1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine has a molecular weight of 255.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[4-(2,2,2-trifluoroethyl)phenyl]pyrazol-5-amine is sourced from PubChem (CID 117390611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).