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

C15H18F3N3 — CID 90755670

IUPACN-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCC(c1ccccc1)N(C)Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-13(11-7-5-4-6-8-11)21(2)10-12-9-19-20-14(12)15(16,17)18/h4-9,13H,3,10H2,1-2H3,(H,19,20)
InChIKeyYFAFZZMARJOAOS-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.01
Rot. Bonds5

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

N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (PubChem CID 90755670) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
PubChem CID90755670
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine
SMILESCCC(c1ccccc1)N(C)Cc1cn[nH]c1C(F)(F)F
InChIInChI=1S/C15H18F3N3/c1-3-13(11-7-5-4-6-8-11)21(2)10-12-9-19-20-14(12)15(16,17)18/h4-9,13H,3,10H2,1-2H3,(H,19,20)
InChIKeyYFAFZZMARJOAOS-UHFFFAOYSA-N
XLogP4.01
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine (CID 90755670) is N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is CCC(c1ccccc1)N(C)Cc1cn[nH]c1C(F)(F)F.
What is the InChIKey of N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
The InChIKey is YFAFZZMARJOAOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-13(11-7-5-4-6-8-11)21(2)10-12-9-19-20-14(12)15(16,17)18/h4-9,13H,3,10H2,1-2H3,(H,19,20).
What are the key properties of N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine?
N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-phenyl-N-[[5-(trifluoromethyl)-1H-pyrazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 90755670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).