N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline

C13H14F3N3 — CID 17325363

IUPACN-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cc(C)n(CNc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c1-9-7-10(2)19(18-9)8-17-12-6-4-3-5-11(12)13(14,15)16/h3-7,17H,8H2,1-2H3
InChIKeyQFVSZSGTPQQRDA-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.59
Rot. Bonds3

About N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline

N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline (PubChem CID 17325363) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
PubChem CID17325363
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline
SMILESCc1cc(C)n(CNc2ccccc2C(F)(F)F)n1
InChIInChI=1S/C13H14F3N3/c1-9-7-10(2)19(18-9)8-17-12-6-4-3-5-11(12)13(14,15)16/h3-7,17H,8H2,1-2H3
InChIKeyQFVSZSGTPQQRDA-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-bis[(3,5-dimethylpyrazol-1-yl)methyl]benzene-1,4-diamine
CID 86240753
N-(2-tert-butylphenyl)-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 110690077
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 78863268
N-[(3-methyl-1,2-oxazol-5-yl)methyl]-2-(trifluoromethyl)aniline
CID 62312935
2,5-dimethyl-N-[2-(trifluoromethyl)phenyl]pyrrol-1-amine
CID 79106688
2-methyl-6-N-[(2-methylphenyl)methyl]-4-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,6-diamine
CID 112871745
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]benzenesulfonyl fluoride
CID 116814136
N-[(3-methylimidazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 66119312
N-[(3-methyl-2-pyridinyl)methyl]-2-(trifluoromethyl)aniline
CID 55203857
2,2-dimethyl-3-[2-(trifluoromethyl)anilino]propanoic acid
CID 79629024
1-(2,2-dimethylpropyl)-3,5-dimethylpyrazole
CID 20774327
1-[(2,6-dichlorophenyl)methyl]-5-methyl-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 2747069

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline?
The IUPAC name of N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline (CID 17325363) is N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline is Cc1cc(C)n(CNc2ccccc2C(F)(F)F)n1.
What is the InChIKey of N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline?
The InChIKey is QFVSZSGTPQQRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-7-10(2)19(18-9)8-17-12-6-4-3-5-11(12)13(14,15)16/h3-7,17H,8H2,1-2H3.
What are the key properties of N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline?
N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline has a molecular weight of 269.27 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylpyrazol-1-yl)methyl]-2-(trifluoromethyl)aniline is sourced from PubChem (CID 17325363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).