3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline

C19H18F3N3O2 — CID 68722941

IUPAC3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
SMILESCOc1cc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C19H18F3N3O2/c1-26-16-7-15(8-17(9-16)27-2)23-10-13-11-24-25-18(13)12-3-5-14(6-4-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyHIDXETJDKVSVEA-UHFFFAOYSA-N
MW377.37 g/mol
LogP4.72
Rot. Bonds6

About 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline

3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline (PubChem CID 68722941) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline.

Molecular Properties

Compound Name3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
PubChem CID68722941
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC Name3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
SMILESCOc1cc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cc(OC)c1
InChIInChI=1S/C19H18F3N3O2/c1-26-16-7-15(8-17(9-16)27-2)23-10-13-11-24-25-18(13)12-3-5-14(6-4-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3,(H,24,25)
InChIKeyHIDXETJDKVSVEA-UHFFFAOYSA-N
XLogP4.72
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,5-dimethoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)pyrrolidin-3-amine
CID 71863975
N-benzyl-N-[[5-(2,4-dimethoxyphenyl)-1H-pyrazol-4-yl]methyl]butan-1-amine
CID 42196270
N-(2,4-dimethoxyphenyl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 22510883
3,5-dimethoxy-N-(1H-pyrazol-3-ylmethyl)aniline
CID 19626230
1-(2,4-dimethoxyphenyl)-N-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 126456909
3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline
CID 10359458
1-(2,4-dimethoxyphenyl)-N-[[1-(4-iodophenyl)-3-(trifluoromethyl)pyrazol-4-yl]methyl]methanamine
CID 58112172
3-butan-2-yloxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721176
N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-3-(trifluoromethoxy)aniline
CID 68721540
3-pentan-3-yloxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68721779
4-methoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722023
3,4-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline
CID 68722232

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline?
The IUPAC name of 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline (CID 68722941) is 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline.
What is the SMILES notation for 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline?
The canonical SMILES for 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline is COc1cc(NCc2cn[nH]c2-c2ccc(C(F)(F)F)cc2)cc(OC)c1.
What is the InChIKey of 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline?
The InChIKey is HIDXETJDKVSVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c1-26-16-7-15(8-17(9-16)27-2)23-10-13-11-24-25-18(13)12-3-5-14(6-4-12)19(20,21)22/h3-9,11,23H,10H2,1-2H3,(H,24,25).
What are the key properties of 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline?
3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline has a molecular weight of 377.37 g/mol, XLogP of 4.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[[5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]methyl]aniline is sourced from PubChem (CID 68722941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).