N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine

C15H18F3N3 — CID 62440996

IUPACN-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-2-9-19-11-13(12-6-4-3-5-7-12)21-10-8-14(20-21)15(16,17)18/h3-8,10,13,19H,2,9,11H2,1H3
InChIKeyPFXWADYBGGQYGL-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.49
Rot. Bonds6

About N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine

N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine (PubChem CID 62440996) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
PubChem CID62440996
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine
SMILESCCCNCC(c1ccccc1)n1ccc(C(F)(F)F)n1
InChIInChI=1S/C15H18F3N3/c1-2-9-19-11-13(12-6-4-3-5-7-12)21-10-8-14(20-21)15(16,17)18/h3-8,10,13,19H,2,9,11H2,1H3
InChIKeyPFXWADYBGGQYGL-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-3-phenyl-3-[3-(trifluoromethyl)pyrazol-1-yl]propanimidamide
CID 76949129
N-[2-(4-bromopyrazol-1-yl)-2-phenylethyl]propan-1-amine
CID 62442515
N-(2-phenyl-2-pyrrolidin-1-ylethyl)propan-1-amine
CID 43202060
N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 62442545
N-[2-(4,4-dimethylpiperidin-1-yl)-2-phenylethyl]propan-1-amine
CID 62930999
N-[[1-[hydroxy(phenyl)methyl]cyclopropyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 155953494
N-[1-[3-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethyl]propan-1-amine
CID 79166250
N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-phenylethyl]propan-1-amine
CID 63026877
N-[[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-1-amine
CID 107557810
4-(1-methylpyrazol-3-yl)-2-phenyl-N-propylbutan-1-amine
CID 82881975
1-phenyl-N,N'-dipropyl-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62427202
2-phenyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 65430048

Frequently Asked Questions

What is the IUPAC name of N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine (CID 62440996) is N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine is CCCNCC(c1ccccc1)n1ccc(C(F)(F)F)n1.
What is the InChIKey of N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
The InChIKey is PFXWADYBGGQYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-2-9-19-11-13(12-6-4-3-5-7-12)21-10-8-14(20-21)15(16,17)18/h3-8,10,13,19H,2,9,11H2,1H3.
What are the key properties of N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine?
N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-phenyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62440996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).