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

C14H15F4N3 — CID 107288998

IUPACN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1
InChIInChI=1S/C14H15F4N3/c1-3-19-13(10-7-20-21(2)8-10)9-4-5-11(12(15)6-9)14(16,17)18/h4-8,13,19H,3H2,1-2H3
InChIKeyGWPUPPHTCWOYFQ-UHFFFAOYSA-N
MW301.29 g/mol
LogP3.28
Rot. Bonds4

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

N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 107288998) has the molecular formula C14H15F4N3 and a molecular weight of 301.29 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID107288998
Molecular FormulaC14H15F4N3
Molecular Weight301.29 g/mol
Exact Mass301.12
IUPAC NameN-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine
SMILESCCNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1
InChIInChI=1S/C14H15F4N3/c1-3-19-13(10-7-20-21(2)8-10)9-4-5-11(12(15)6-9)14(16,17)18/h4-8,13,19H,3H2,1-2H3
InChIKeyGWPUPPHTCWOYFQ-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methanamine
CID 107288996
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]ethanamine
CID 107288766
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107978064
N-[(6-bromonaphthalen-2-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 115808523
N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(furan-2-yl)methyl]ethanamine
CID 107288862
N-[(3,5-dichlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492483
N-[(2-fluoro-4,6-dimethylphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 106881613
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
N-[(1-methylpyrazol-4-yl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 115374632
N-[(1-ethylpyrazol-4-yl)-(3-fluoro-4-methoxyphenyl)methyl]ethanamine
CID 115816115

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine (CID 107288998) is N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine is CCNC(c1ccc(C(F)(F)F)c(F)c1)c1cnn(C)c1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is GWPUPPHTCWOYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4N3/c1-3-19-13(10-7-20-21(2)8-10)9-4-5-11(12(15)6-9)14(16,17)18/h4-8,13,19H,3H2,1-2H3.
What are the key properties of N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine?
N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 301.29 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107288998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).