1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine

C18H17F3N4 — CID 169386944

IUPAC1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine
SMILESCn1nc(C(F)(F)F)cc1-c1ccccc1CNNc1ccccc1
InChIInChI=1S/C18H17F3N4/c1-25-16(11-17(24-25)18(19,20)21)15-10-6-5-7-13(15)12-22-23-14-8-3-2-4-9-14/h2-11,22-23H,12H2,1H3
InChIKeyZVINYRRBJYAHTK-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.22
Rot. Bonds5

About 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine

1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine (PubChem CID 169386944) has the molecular formula C18H17F3N4 and a molecular weight of 346.36 g/mol. Its IUPAC name is 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine
PubChem CID169386944
Molecular FormulaC18H17F3N4
Molecular Weight346.36 g/mol
Exact Mass346.14
IUPAC Name1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine
SMILESCn1nc(C(F)(F)F)cc1-c1ccccc1CNNc1ccccc1
InChIInChI=1S/C18H17F3N4/c1-25-16(11-17(24-25)18(19,20)21)15-10-6-5-7-13(15)12-22-23-14-8-3-2-4-9-14/h2-11,22-23H,12H2,1H3
InChIKeyZVINYRRBJYAHTK-UHFFFAOYSA-N
XLogP4.22
TPSA41.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 4036144
6-N-[(2-fluorophenyl)methyl]-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]pyridine-2,6-diamine
CID 71105505
3-fluoro-N-[(2-fluoro-6-methylphenyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554071
1-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384474
4-tert-butyl-2-[(tert-butylamino)methyl]-6-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenol
CID 136601807
1-[[2-(5-methylthiophen-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169385414
1-methyl-5-(1H-pyrrol-2-yl)-3-(trifluoromethyl)pyrazole
CID 136967042
1-methyl-5-[2-(2,2,2-trifluoroethyl)phenyl]pyrazole-3-carboxylic acid
CID 117457489
N-[(2-chlorophenyl)methyl]-2-ethyl-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 123929293
2,2-dimethyl-5-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methylidene]-1,3-dioxane-4,6-dione
CID 168598744
3-fluoro-N-[(4-methyl-3-pyridinyl)methyl]-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 71554165
5-(5-bromo-2-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole
CID 116861952

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine?
The IUPAC name of 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine (CID 169386944) is 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine is Cn1nc(C(F)(F)F)cc1-c1ccccc1CNNc1ccccc1.
What is the InChIKey of 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine?
The InChIKey is ZVINYRRBJYAHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4/c1-25-16(11-17(24-25)18(19,20)21)15-10-6-5-7-13(15)12-22-23-14-8-3-2-4-9-14/h2-11,22-23H,12H2,1H3.
What are the key properties of 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine?
1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine has a molecular weight of 346.36 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).