1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine

C13H14F3N3 — CID 166246765

IUPAC1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
SMILESCn1ccc(NCCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-19-8-6-12(18-19)17-7-5-10-3-2-4-11(9-10)13(14,15)16/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeyTVMQRLKQPWFVDS-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.09
Rot. Bonds4

About 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine

1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine (PubChem CID 166246765) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
PubChem CID166246765
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine
SMILESCn1ccc(NCCc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H14F3N3/c1-19-8-6-12(18-19)17-7-5-10-3-2-4-11(9-10)13(14,15)16/h2-4,6,8-9H,5,7H2,1H3,(H,17,18)
InChIKeyTVMQRLKQPWFVDS-UHFFFAOYSA-N
XLogP3.09
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-3-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
CID 19618959
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-methyl-N-[2-(4-methylphenyl)ethyl]pyrazol-3-amine
CID 75517812
N-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-1-methylpyrazol-3-amine
CID 165343641
2-[3-(trifluoromethyl)phenyl]-N-(trimethylsilylmethyl)ethanamine
CID 67402200
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
N-[2-[3-[2-[3,5-bis(trifluoromethyl)anilino]ethyl]phenyl]ethyl]-3,5-bis(trifluoromethyl)aniline
CID 139132044
3-[6-[2-[3-(trifluoromethyl)phenyl]ethylamino]-2-pyridinyl]benzoic acid
CID 66857601
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
CID 103568727
N-[[4-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 68700218
N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372312
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The IUPAC name of 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine (CID 166246765) is 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine.
What is the SMILES notation for 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The canonical SMILES for 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine is Cn1ccc(NCCc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
The InChIKey is TVMQRLKQPWFVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-19-8-6-12(18-19)17-7-5-10-3-2-4-11(9-10)13(14,15)16/h2-4,6,8-9H,5,7H2,1H3,(H,17,18).
What are the key properties of 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine?
1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine has a molecular weight of 269.27 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-3-amine is sourced from PubChem (CID 166246765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).