[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

C12H12F3N3 — CID 19627300

IUPAC[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(CN)cc1
InChIInChI=1S/C12H12F3N3/c1-8-6-11(12(13,14)15)17-18(8)10-4-2-9(7-16)3-5-10/h2-6H,7,16H2,1H3
InChIKeyKKTQSZYFMLGTDA-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.66
Rot. Bonds2

About [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine

[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (PubChem CID 19627300) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
PubChem CID19627300
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
SMILESCc1cc(C(F)(F)F)nn1-c1ccc(CN)cc1
InChIInChI=1S/C12H12F3N3/c1-8-6-11(12(13,14)15)17-18(8)10-4-2-9(7-16)3-5-10/h2-6H,7,16H2,1H3
InChIKeyKKTQSZYFMLGTDA-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The IUPAC name of [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine (CID 19627300) is [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine.
What is the SMILES notation for [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The canonical SMILES for [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is Cc1cc(C(F)(F)F)nn1-c1ccc(CN)cc1.
What is the InChIKey of [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
The InChIKey is KKTQSZYFMLGTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-8-6-11(12(13,14)15)17-18(8)10-4-2-9(7-16)3-5-10/h2-6H,7,16H2,1H3.
What are the key properties of [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine?
[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine is sourced from PubChem (CID 19627300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).