N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

C15H16F3N3 — CID 66441057

IUPACN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(-n2ncc(CNC3CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3/c1-10-2-6-13(7-3-10)21-14(15(16,17)18)11(9-20-21)8-19-12-4-5-12/h2-3,6-7,9,12,19H,4-5,8H2,1H3
InChIKeyWGENTLNBFNYDTR-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.45
Rot. Bonds4

About N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66441057) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66441057
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC NameN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESCc1ccc(-n2ncc(CNC3CC3)c2C(F)(F)F)cc1
InChIInChI=1S/C15H16F3N3/c1-10-2-6-13(7-3-10)21-14(15(16,17)18)11(9-20-21)8-19-12-4-5-12/h2-3,6-7,9,12,19H,4-5,8H2,1H3
InChIKeyWGENTLNBFNYDTR-UHFFFAOYSA-N
XLogP3.45
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine 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

N-[[1-phenyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopentanamine
CID 82527795
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66442458
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
N-[[1-pyridazin-3-yl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 103294527
N-[[1-cycloheptyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441946
N-[[1-butyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66442349
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]cyclopropanamine
CID 54982355
N-[[1-(4-bromophenyl)-5-ethylpyrazol-4-yl]methyl]cyclopropanamine
CID 66440971
N-[[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66441171
4-(chloromethyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole
CID 66438359
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]cyclopentanamine
CID 82527894
N-[[5-cyclopropyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 66441513

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 66441057) is N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is Cc1ccc(-n2ncc(CNC3CC3)c2C(F)(F)F)cc1.
What is the InChIKey of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is WGENTLNBFNYDTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-10-2-6-13(7-3-10)21-14(15(16,17)18)11(9-20-21)8-19-12-4-5-12/h2-3,6-7,9,12,19H,4-5,8H2,1H3.
What are the key properties of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 295.31 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66441057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).