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

C13H14F3N3 — CID 86776389

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-9-11(8-18-19-9)7-17-6-10-2-4-12(5-3-10)13(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyIVZLTKBBDNQGFM-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.03
Rot. Bonds4

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

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (PubChem CID 86776389) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
PubChem CID86776389
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
SMILESCc1[nH]ncc1CNCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H14F3N3/c1-9-11(8-18-19-9)7-17-6-10-2-4-12(5-3-10)13(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19)
InChIKeyIVZLTKBBDNQGFM-UHFFFAOYSA-N
XLogP3.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine (CID 86776389) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is Cc1[nH]ncc1CNCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
The InChIKey is IVZLTKBBDNQGFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-9-11(8-18-19-9)7-17-6-10-2-4-12(5-3-10)13(14,15)16/h2-5,8,17H,6-7H2,1H3,(H,18,19).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine has a molecular weight of 269.27 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 86776389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).