3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline

C17H14F3N3O — CID 10359458

IUPAC3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline
SMILESCn1nccc1-c1cccc(Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3O/c1-23-16(8-9-21-23)12-4-2-5-13(10-12)22-14-6-3-7-15(11-14)24-17(18,19)20/h2-11,22H,1H3
InChIKeyDADMKOUDZNOUAJ-UHFFFAOYSA-N
MW333.31 g/mol
LogP4.73
Rot. Bonds4

About 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline

3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline (PubChem CID 10359458) has the molecular formula C17H14F3N3O and a molecular weight of 333.31 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline
PubChem CID10359458
Molecular FormulaC17H14F3N3O
Molecular Weight333.31 g/mol
Exact Mass333.11
IUPAC Name3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline
SMILESCn1nccc1-c1cccc(Nc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C17H14F3N3O/c1-23-16(8-9-21-23)12-4-2-5-13(10-12)22-14-6-3-7-15(11-14)24-17(18,19)20/h2-11,22H,1H3
InChIKeyDADMKOUDZNOUAJ-UHFFFAOYSA-N
XLogP4.73
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(3,4-Difluoro-phenyl)-3-[3-(4-fluoro-2-methyl-2H-pyrazol-3-yl)-4-methoxy-phenyl]-urea
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3-(4-Methoxyphenyl)-1-phenyl-4-pyrazolamine
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1-[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-{[1-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl}methanamine
CID 16189988
2-(3,5-dimethyl-1H-pyrazol-1-yl)-N-{[1-(2-fluorophenyl)-3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}ethanamine
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N-(pyridin-4-ylmethyl)-2-(1-(3-(trifluoromethoxy)phenyl)-1H-1,2,3-triazol-4-yl)aniline
CID 44156904
1-((1-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl)methyl)-4-(3-methoxyphenyl)piperazine
CID 49862236
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CID 72546286
3-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]propan-1-amine
CID 73348043
N-[(1-propyl-4-piperidyl)methyl]-1-[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanamine
CID 73354109
2-(4-methylpiperazin-1-yl)-N-[[3-[4-(trifluoromethoxy)phenyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methyl]ethanamine
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline (CID 10359458) is 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline is Cn1nccc1-c1cccc(Nc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline?
The InChIKey is DADMKOUDZNOUAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O/c1-23-16(8-9-21-23)12-4-2-5-13(10-12)22-14-6-3-7-15(11-14)24-17(18,19)20/h2-11,22H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline?
3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline has a molecular weight of 333.31 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-[3-(trifluoromethoxy)phenyl]aniline is sourced from PubChem (CID 10359458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).