N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine

C14H16F3N3 — CID 62441951

IUPACN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H16F3N3/c1-2-18-9-11-3-5-12(6-4-11)10-20-8-7-13(19-20)14(15,16)17/h3-8,18H,2,9-10H2,1H3
InChIKeyGGWSLMKFCZAQGN-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.06
Rot. Bonds5

About N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine

N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine (PubChem CID 62441951) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
PubChem CID62441951
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine
SMILESCCNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1
InChIInChI=1S/C14H16F3N3/c1-2-18-9-11-3-5-12(6-4-11)10-20-8-7-13(19-20)14(15,16)17/h3-8,18H,2,9-10H2,1H3
InChIKeyGGWSLMKFCZAQGN-UHFFFAOYSA-N
XLogP3.06
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanamine
CID 62441950
trimethyl-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]silane
CID 103438540
2-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]acetohydrazide
CID 105352183
N'-hydroxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarboximidamide
CID 76913324
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 37425808
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19530737
1-[(3-methylphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 115593678
N-methyl-1-[5-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]thiophen-2-yl]methanamine
CID 107557811
2-methoxy-4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]benzenecarbothioamide
CID 106789030
1-[[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]methylamino]pentan-2-ol
CID 111118842
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methanone
CID 138026382
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62442544

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine (CID 62441951) is N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine is CCNCc1ccc(Cn2ccc(C(F)(F)F)n2)cc1.
What is the InChIKey of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine?
The InChIKey is GGWSLMKFCZAQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-2-18-9-11-3-5-12(6-4-11)10-20-8-7-13(19-20)14(15,16)17/h3-8,18H,2,9-10H2,1H3.
What are the key properties of N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine?
N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine has a molecular weight of 283.30 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[3-(trifluoromethyl)pyrazol-1-yl]methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 62441951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).