N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine

C15H18F3N3 — CID 105424029

IUPACN-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
SMILESCNCCCc1c(-c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H18F3N3/c1-19-8-4-7-14-13(10-20-21(14)2)11-5-3-6-12(9-11)15(16,17)18/h3,5-6,9-10,19H,4,7-8H2,1-2H3
InChIKeyKPOZFKMYJNEERP-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.26
Rot. Bonds5

About N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine

N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine (PubChem CID 105424029) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
PubChem CID105424029
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine
SMILESCNCCCc1c(-c2cccc(C(F)(F)F)c2)cnn1C
InChIInChI=1S/C15H18F3N3/c1-19-8-4-7-14-13(10-20-21(14)2)11-5-3-6-12(9-11)15(16,17)18/h3,5-6,9-10,19H,4,7-8H2,1-2H3
InChIKeyKPOZFKMYJNEERP-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
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-methyl-3-[1-methyl-4-(3-methylphenyl)pyrazol-5-yl]propan-1-amine
CID 105423631
3-[4-(3-methoxyphenyl)-1-methylpyrazol-5-yl]-N-methylpropan-1-amine
CID 105423807
N-methyl-3-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115087182
3-[5-(3-aminopropyl)-1-methylpyrazol-4-yl]phenol
CID 105423466
N'-[1-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propane-1,3-diamine
CID 117210317
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
5-fluoro-N-[3-(methylamino)propyl]-2-[3-(trifluoromethyl)phenyl]benzamide
CID 119429718
2-methyl-4-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]benzene
CID 134627753
N-methyl-3-[2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-5-yl]propan-1-amine
CID 115091428
N-(3-morpholin-4-ylpropyl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-7-amine
CID 126473906
N,4-dimethyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-amine
CID 112596439
N-methyl-4-[2-[3-(trifluoromethyl)phenyl]-1,3-dioxolan-2-yl]butan-1-amine
CID 59083728

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine (CID 105424029) is N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine is CNCCCc1c(-c2cccc(C(F)(F)F)c2)cnn1C.
What is the InChIKey of N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine?
The InChIKey is KPOZFKMYJNEERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-19-8-4-7-14-13(10-20-21(14)2)11-5-3-6-12(9-11)15(16,17)18/h3,5-6,9-10,19H,4,7-8H2,1-2H3.
What are the key properties of N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine?
N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine has a molecular weight of 297.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[1-methyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-yl]propan-1-amine is sourced from PubChem (CID 105424029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).