1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane

C17H17F3N4S — CID 175243310

IUPAC1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane
SMILESNCc1ccccc1-n1nc(C(F)(F)F)cc1Nc1ccccc1.S
InChIInChI=1S/C17H15F3N4.H2S/c18-17(19,20)15-10-16(22-13-7-2-1-3-8-13)24(23-15)14-9-5-4-6-12(14)11-21;/h1-10,22H,11,21H2;1H2
InChIKeyXKZXXNHDXHQGDK-UHFFFAOYSA-N
MW366.41 g/mol
LogP4.21
Rot. Bonds4

About 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane

1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane (PubChem CID 175243310) has the molecular formula C17H17F3N4S and a molecular weight of 366.41 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane
PubChem CID175243310
Molecular FormulaC17H17F3N4S
Molecular Weight366.41 g/mol
Exact Mass366.11
IUPAC Name1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane
SMILESNCc1ccccc1-n1nc(C(F)(F)F)cc1Nc1ccccc1.S
InChIInChI=1S/C17H15F3N4.H2S/c18-17(19,20)15-10-16(22-13-7-2-1-3-8-13)24(23-15)14-9-5-4-6-12(14)11-21;/h1-10,22H,11,21H2;1H2
InChIKeyXKZXXNHDXHQGDK-UHFFFAOYSA-N
XLogP4.21
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane 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

2-[[1-[2-(aminomethyl)phenyl]-3-(trifluoromethyl)pyrazol-5-yl]amino]benzenesulfonamide
CID 174572060
2-[[3-tert-butyl-1-(2-ethylphenyl)pyrazol-5-yl]amino]benzoic acid
CID 69276574
[1-(2,3-dichlorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 70847696
1-[3-(aminomethyl)phenyl]-N-(3-anilinophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 126665499
2-[1-[2-(aminomethyl)phenyl]-5-propylpyrazol-3-yl]propan-2-ol
CID 175948495
2-[[1-[2-(aminomethyl)phenyl]-3-cyclopentylpyrazol-5-yl]amino]benzoic acid
CID 174492716
2-[2-(aminomethyl)phenyl]-5-methylpyrazol-3-amine
CID 84776867
2-[[1-[2-(aminomethyl)phenyl]-3-(2-methoxyphenyl)pyrazol-5-yl]amino]-4-fluorobenzoic acid
CID 174492670
1-[2-(aminomethyl)phenyl]-N-[4-[2-(tert-butylsulfamoyl)phenyl]-2-fluorophenyl]-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 11786644
[(2S)-1-oxo-1-[[3-[5-(phenylcarbamoylamino)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]propan-2-yl]carbamic acid
CID 69453935
2-anilino-N-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]benzamide
CID 169091207
1-(2,6-dimethylphenyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 82088628

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane (CID 175243310) is 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane is NCc1ccccc1-n1nc(C(F)(F)F)cc1Nc1ccccc1.S.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane?
The InChIKey is XKZXXNHDXHQGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4.H2S/c18-17(19,20)15-10-16(22-13-7-2-1-3-8-13)24(23-15)14-9-5-4-6-12(14)11-21;/h1-10,22H,11,21H2;1H2.
What are the key properties of 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane?
1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane has a molecular weight of 366.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-N-phenyl-3-(trifluoromethyl)pyrazol-5-amine;sulfane is sourced from PubChem (CID 175243310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).