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

C15H18F3N3 — CID 62731616

IUPACN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3/c1-3-14(19-2)12-8-20-21(10-12)9-11-4-6-13(7-5-11)15(16,17)18/h4-8,10,14,19H,3,9H2,1-2H3
InChIKeyOUKOKLUHEWEHCG-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.62
Rot. Bonds5

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

N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine (PubChem CID 62731616) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
PubChem CID62731616
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
SMILESCCC(NC)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3/c1-3-14(19-2)12-8-20-21(10-12)9-11-4-6-13(7-5-11)15(16,17)18/h4-8,10,14,19H,3,9H2,1-2H3
InChIKeyOUKOKLUHEWEHCG-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 103041249
1-[1-[(3,5-difluorophenyl)methyl]pyrazol-4-yl]-N-methylpropan-1-amine
CID 105408692
N-methyl-1-[1-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 55109269
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62732121
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 62729791
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
1-[1-(2-ethylbutyl)pyrazol-4-yl]-N-methylpropan-1-amine
CID 82929915
N-methyl-1-[1-[(1-methylpyrazol-3-yl)methyl]pyrazol-4-yl]propan-1-amine
CID 82871677
(2S)-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methylamino]hexanoic acid
CID 120511636
N-methyl-1-[1-[(4-propan-2-ylphenyl)methyl]pyrazol-4-yl]ethanamine
CID 62729600
dimethyl-oxo-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]imino-λ6-sulfane
CID 154866805

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The IUPAC name of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine (CID 62731616) is N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine.
What is the SMILES notation for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The canonical SMILES for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine is CCC(NC)c1cnn(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
The InChIKey is OUKOKLUHEWEHCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-3-14(19-2)12-8-20-21(10-12)9-11-4-6-13(7-5-11)15(16,17)18/h4-8,10,14,19H,3,9H2,1-2H3.
What are the key properties of N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine?
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine is sourced from PubChem (CID 62731616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).