1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

C14H15F4N3 — CID 107291427

IUPAC1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C14H15F4N3/c1-8-10(7-20-21(8)3)13(19-2)9-4-5-11(12(15)6-9)14(16,17)18/h4-7,13,19H,1-3H3
InChIKeyMGWOYYDEHRKIEC-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.20
Rot. Bonds3

About 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine

1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (PubChem CID 107291427) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
PubChem CID107291427
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
SMILESCNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1C
InChIInChI=1S/C14H15F4N3/c1-8-10(7-20-21(8)3)13(19-2)9-4-5-11(12(15)6-9)14(16,17)18/h4-7,13,19H,1-3H3
InChIKeyMGWOYYDEHRKIEC-UHFFFAOYSA-N
XLogP3.20
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 107291694
1-(2,5-dimethylfuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291435
1-(2,6-difluorophenyl)-1-(1,5-dimethylpyrazol-4-yl)-N-methylmethanamine
CID 105149342
N-[(3,4-difluorophenyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105145523
[(2,5-dimethylpyrazol-3-yl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292483
1-[3-fluoro-4-(trifluoromethyl)phenyl]-1-(3-iodophenyl)-N-methylmethanamine
CID 107291463
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
1-(2-bromofuran-3-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine
CID 107291665
[(1,5-dimethylpyrazol-4-yl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105301348
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-2-ylmethanamine
CID 107288722
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-thiophen-3-ylmethanamine
CID 107288767
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 107288998

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine (CID 107291427) is 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is CNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
The InChIKey is MGWOYYDEHRKIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-8-10(7-20-21(8)3)13(19-2)9-4-5-11(12(15)6-9)14(16,17)18/h4-7,13,19H,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine?
1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine has a molecular weight of 301.29 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methylmethanamine is sourced from PubChem (CID 107291427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).