N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine

C15H18F3N3 — CID 62732121

IUPACN-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3/c1-11(2)19-7-13-8-20-21(10-13)9-12-3-5-14(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyQLSXIRQNEIUUMM-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.45
Rot. Bonds5

About N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine

N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine (PubChem CID 62732121) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
PubChem CID62732121
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C15H18F3N3/c1-11(2)19-7-13-8-20-21(10-13)9-12-3-5-14(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3
InChIKeyQLSXIRQNEIUUMM-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(4-methylphenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 61272505
(2S)-4-methyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methylamino]pentanoic acid
CID 120510862
(2S)-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methylamino]hexanoic acid
CID 120511636
N-[[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]propan-2-amine
CID 62731582
[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methanamine
CID 62727284
4-methylsulfanyl-2-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methylamino]butanoic acid
CID 102563023
N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 55110405
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]methyl]propan-2-amine
CID 106719343
N-methyl-1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propan-1-amine
CID 62731616
N-[[5-[[4-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methyl]propan-2-amine
CID 107557845
N-[[1-[(2-bromo-4-fluorophenyl)methyl]pyrazol-4-yl]methyl]propan-2-amine
CID 62731399
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)aniline
CID 103825746

Frequently Asked Questions

What is the IUPAC name of N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine (CID 62732121) is N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine is CC(C)NCc1cnn(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine?
The InChIKey is QLSXIRQNEIUUMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-11(2)19-7-13-8-20-21(10-13)9-12-3-5-14(6-4-12)15(16,17)18/h3-6,8,10-11,19H,7,9H2,1-2H3.
What are the key properties of N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine?
N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine has a molecular weight of 297.32 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 62732121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).