3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline

C17H14F3N3 — CID 10087179

IUPAC3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCn1nccc1-c1cccc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3N3/c1-23-16(9-10-21-23)12-3-2-4-15(11-12)22-14-7-5-13(6-8-14)17(18,19)20/h2-11,22H,1H3
InChIKeyKFNVJJNVYPIVIH-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.85
Rot. Bonds3

About 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline

3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 10087179) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID10087179
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCn1nccc1-c1cccc(Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3N3/c1-23-16(9-10-21-23)12-3-2-4-15(11-12)22-14-7-5-13(6-8-14)17(18,19)20/h2-11,22H,1H3
InChIKeyKFNVJJNVYPIVIH-UHFFFAOYSA-N
XLogP4.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 10087179) is 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline is Cn1nccc1-c1cccc(Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is KFNVJJNVYPIVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c1-23-16(9-10-21-23)12-3-2-4-15(11-12)22-14-7-5-13(6-8-14)17(18,19)20/h2-11,22H,1H3.
What are the key properties of 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 317.31 g/mol, XLogP of 4.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpyrazol-3-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 10087179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).