N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline

C15H18F3N3 — CID 66479953

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C15H18F3N3/c1-9-5-6-12(15(16,17)18)7-14(9)19-10(2)13-8-21(4)20-11(13)3/h5-8,10,19H,1-4H3
InChIKeyUNOAFCPYHCETEZ-UHFFFAOYSA-N
MW297.32 g/mol
LogP4.23
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline (PubChem CID 66479953) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
PubChem CID66479953
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
SMILESCc1ccc(C(F)(F)F)cc1NC(C)c1cn(C)nc1C
InChIInChI=1S/C15H18F3N3/c1-9-5-6-12(15(16,17)18)7-14(9)19-10(2)13-8-21(4)20-11(13)3/h5-8,10,19H,1-4H3
InChIKeyUNOAFCPYHCETEZ-UHFFFAOYSA-N
XLogP4.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 65197070
1-(1,3-dimethylpyrazol-4-yl)-N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]methanamine
CID 102804693
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-difluoroaniline
CID 65192411
1-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 17284087
6-bromo-N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methylpyridin-3-amine
CID 114050711
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3,5-dimethylaniline
CID 65192459
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-methylaniline
CID 65191898
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-3-ethyl-1-methylpyrazol-4-amine
CID 113354221
N-[1-(3-fluorophenyl)ethyl]-2-methyl-5-(trifluoromethyl)aniline
CID 66479729
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,4-dimethoxyaniline
CID 65191841
N-but-3-en-2-yl-2-methyl-5-(trifluoromethyl)aniline
CID 107907236
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2,2,2-trifluoroethanamine
CID 65192198

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline (CID 66479953) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline is Cc1ccc(C(F)(F)F)cc1NC(C)c1cn(C)nc1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
The InChIKey is UNOAFCPYHCETEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-9-5-6-12(15(16,17)18)7-14(9)19-10(2)13-8-21(4)20-11(13)3/h5-8,10,19H,1-4H3.
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline has a molecular weight of 297.32 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-2-methyl-5-(trifluoromethyl)aniline is sourced from PubChem (CID 66479953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).