1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

C13H14F3N3 — CID 65200458

IUPAC1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCn1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N3/c1-19-7-6-12(18-19)11(17)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,11H,8,17H2,1H3
InChIKeyMXKXPWAPPNKPPM-UHFFFAOYSA-N
MW269.27 g/mol
LogP2.68
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine

1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 65200458) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
PubChem CID65200458
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
SMILESCn1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C13H14F3N3/c1-19-7-6-12(18-19)11(17)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,11H,8,17H2,1H3
InChIKeyMXKXPWAPPNKPPM-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylimidazol-4-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 82895393
1-(1-methylpyrazol-3-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147975
2-(6-methoxy-3-pyridinyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 103131183
1-(4-methyl-2-pyridinyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 63841377
2-(3-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200559
2-(4-ethylphenyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 115803330
2-(1-methylimidazol-2-yl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 79760474
2-(2,5-difluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200827
1-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62114714
1-(3,4-dimethylphenyl)-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 62115577
1-(1-methylpyrazol-3-yl)ethanamine;hydrochloride
CID 130453998
[[2-bromo-5-(trifluoromethyl)phenyl]-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140789

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine (CID 65200458) is 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is Cn1ccc(C(N)Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is MXKXPWAPPNKPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-7-6-12(18-19)11(17)8-9-2-4-10(5-3-9)13(14,15)16/h2-7,11H,8,17H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine?
1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 269.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-2-[4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 65200458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).