N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine

C12H12F3N3O — CID 61284669

IUPACN-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCc2ccn[nH]2)cc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyKZSZLKPUJOGZIM-UHFFFAOYSA-N
MW271.24 g/mol
LogP2.60
Rot. Bonds5

About N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine

N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine (PubChem CID 61284669) has the molecular formula C12H12F3N3O and a molecular weight of 271.24 g/mol. Its IUPAC name is N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound NameN-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
PubChem CID61284669
Molecular FormulaC12H12F3N3O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC NameN-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
SMILESFC(F)(F)Oc1ccc(CNCc2ccn[nH]2)cc1
InChIInChI=1S/C12H12F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2,(H,17,18)
InChIKeyKZSZLKPUJOGZIM-UHFFFAOYSA-N
XLogP2.60
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[4-[4-(trifluoromethoxy)phenyl]phenyl]methyl]-1H-pyrazole
CID 174890629
1-(4-butoxyphenyl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61284679
1-(1H-pyrazol-5-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285482
N-(1,3-thiazol-2-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60960358
1-naphthalen-2-yl-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 61285657
1-(1H-pyrazol-5-ylmethyl)-3-[(1R)-1-[4-(trifluoromethoxy)phenyl]ethyl]urea
CID 94030672
N-ethyl-N-[[4-[(1H-pyrazol-5-ylmethylamino)methyl]phenyl]methyl]ethanamine
CID 43662461
N-[[4-(trifluoromethoxy)phenyl]methyl]propan-1-amine
CID 28586305
N-[[4-(trifluoromethoxy)phenyl]methyl]prop-2-yn-1-amine
CID 158554259
N-(1,3-thiazol-4-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60721281
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60707327
1-(furan-3-yl)-N-(1H-pyrazol-5-ylmethyl)methanamine
CID 63001149

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine (CID 61284669) is N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine is FC(F)(F)Oc1ccc(CNCc2ccn[nH]2)cc1.
What is the InChIKey of N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is KZSZLKPUJOGZIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O/c13-12(14,15)19-11-3-1-9(2-4-11)7-16-8-10-5-6-17-18-10/h1-6,16H,7-8H2,(H,17,18).
What are the key properties of N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine?
N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 271.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-5-ylmethyl)-1-[4-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 61284669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).