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

C17H14F3N3 — CID 141222734

IUPACN-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline
SMILESFC(F)(F)c1ccc(-c2cn[nH]c2CNc2ccccc2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-22-23-16(15)11-21-14-4-2-1-3-5-14/h1-10,21H,11H2,(H,22,23)
InChIKeyRKJXQEFDZQEDIN-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.71
Rot. Bonds4

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

N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline (PubChem CID 141222734) has the molecular formula C17H14F3N3 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline.

Molecular Properties

Compound NameN-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline
PubChem CID141222734
Molecular FormulaC17H14F3N3
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC NameN-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline
SMILESFC(F)(F)c1ccc(-c2cn[nH]c2CNc2ccccc2)cc1
InChIInChI=1S/C17H14F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-22-23-16(15)11-21-14-4-2-1-3-5-14/h1-10,21H,11H2,(H,22,23)
InChIKeyRKJXQEFDZQEDIN-UHFFFAOYSA-N
XLogP4.71
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-benzhydryl-1H-pyrazole
CID 2806015
1-(4-fluorophenyl)-4-{[3-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl}piperazine
CID 2812412
2-[4-(trifluoromethyl)phenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9925372
2-[4-(3,4-Difluoro-phenyl)-1H-pyrazol-3-yl]-6-methyl-pyridine
CID 11807788
(1R)-1-(3-fluorophenyl)-N-((1-(4-(trifluoromethyl)phenyl)-1H-pyrazol-3-yl)methyl)ethanamine
CID 44542629
1-(3-phenyl-1H-pyrazol-4-yl)piperazine
CID 59511191
1-[5-(3-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209857
1-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209911
1-[5-(4-methylphenyl)-1H-pyrazol-4-yl]piperazine
CID 117209962
1-[5-(4-fluorophenyl)-1H-pyrazol-4-yl]piperazine
CID 117209964
N'-methyl-N'-[[5-[4-(2-methylpropyl)phenyl]-1H-pyrazol-4-yl]methyl]ethane-1,2-diamine
CID 117671019
N-[[(2R)-piperidin-2-yl]methyl]-6-(trifluoromethyl)-1H-indazol-4-amine
CID 130335568

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline?
The IUPAC name of N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline (CID 141222734) is N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline.
What is the SMILES notation for N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline?
The canonical SMILES for N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline is FC(F)(F)c1ccc(-c2cn[nH]c2CNc2ccccc2)cc1.
What is the InChIKey of N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline?
The InChIKey is RKJXQEFDZQEDIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3/c18-17(19,20)13-8-6-12(7-9-13)15-10-22-23-16(15)11-21-14-4-2-1-3-5-14/h1-10,21H,11H2,(H,22,23).
What are the key properties of N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline?
N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline has a molecular weight of 317.31 g/mol, XLogP of 4.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]methyl]aniline is sourced from PubChem (CID 141222734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).