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

C15H18F3N3 — CID 66442458

IUPACN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-8-19-9-12-10-20-21(14(12)15(16,17)18)13-6-4-11(2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyNNGDPBGUXCKNIK-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.70
Rot. Bonds5

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

N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 66442458) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
PubChem CID66442458
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cnn(-c2ccc(C)cc2)c1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-8-19-9-12-10-20-21(14(12)15(16,17)18)13-6-4-11(2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3
InChIKeyNNGDPBGUXCKNIK-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine 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-(4-methylphenyl)-5-propylpyrazol-4-yl]methyl]propan-1-amine
CID 66439641
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 66441057
2-[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetic acid
CID 82527752
N-[[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 54982022
N-[[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-4-yl]methyl]propan-1-amine
CID 66441251
N-[[1-(4-ethoxyphenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 82527899
N-[[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 66441171
N-[[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442319
N-[2-(ethylamino)ethyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide;hydrochloride
CID 119508538
N-[[1-(3,4-dichlorophenyl)-5-methylpyrazol-4-yl]methyl]propan-1-amine
CID 54982311
[1-(3,4-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanethiol
CID 82527607
4-ethyl-1-(4-ethynylphenyl)-5-(trifluoromethyl)pyrazole
CID 153436157

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine (CID 66442458) is N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine is CCCNCc1cnn(-c2ccc(C)cc2)c1C(F)(F)F.
What is the InChIKey of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is NNGDPBGUXCKNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-8-19-9-12-10-20-21(14(12)15(16,17)18)13-6-4-11(2)5-7-13/h4-7,10,19H,3,8-9H2,1-2H3.
What are the key properties of N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine?
N-[[1-(4-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.70, 5 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]propan-1-amine is sourced from PubChem (CID 66442458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).