N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

C12H12F3N3 — CID 54897524

IUPACN-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cn[nH]c1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)8-16-5-9-6-17-18-7-9/h1-4,6-7,16H,5,8H2,(H,17,18)
InChIKeyLYEZTRZXBWYIRP-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.72
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine

N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 54897524) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID54897524
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC NameN-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1cn[nH]c1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)8-16-5-9-6-17-18-7-9/h1-4,6-7,16H,5,8H2,(H,17,18)
InChIKeyLYEZTRZXBWYIRP-UHFFFAOYSA-N
XLogP2.72
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
N-(1H-pyrazol-4-ylmethyl)-1-[4-(trifluoromethyl)phenyl]methanamine
CID 54897039
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-sulfonamide
CID 62050076
1-(2-cyclopropylphenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 79979585
1-(2,3-dichlorophenyl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000262
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
N-[(3,5-dimethylphenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048755
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine;hydrochloride
CID 17332531
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
2-(1H-pyrazol-4-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 159419084

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine (CID 54897524) is N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is FC(F)(F)c1ccccc1CNCc1cn[nH]c1.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is LYEZTRZXBWYIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)11-4-2-1-3-10(11)8-16-5-9-6-17-18-7-9/h1-4,6-7,16H,5,8H2,(H,17,18).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine?
N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 255.24 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 54897524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).