1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

C15H18F3N3 — CID 43435895

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2ccccc2C(F)(F)F)cnn1C
InChIInChI=1S/C15H18F3N3/c1-10(13-9-20-21(3)11(13)2)19-8-12-6-4-5-7-14(12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyBSZKNYVQCYZKJT-UHFFFAOYSA-N
MW297.32 g/mol
LogP3.60
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (PubChem CID 43435895) has the molecular formula C15H18F3N3 and a molecular weight of 297.32 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
PubChem CID43435895
Molecular FormulaC15H18F3N3
Molecular Weight297.32 g/mol
Exact Mass297.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
SMILESCc1c(C(C)NCc2ccccc2C(F)(F)F)cnn1C
InChIInChI=1S/C15H18F3N3/c1-10(13-9-20-21(3)11(13)2)19-8-12-6-4-5-7-14(12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3
InChIKeyBSZKNYVQCYZKJT-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenol
CID 19627463
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
N-[(2-cyclopropylphenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 79889125
1-(1,5-dimethylpyrazol-4-yl)-N-[(1-methylindol-3-yl)methyl]ethanamine
CID 107235283
2-[2-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]phenoxy]ethanol
CID 110010841
N-[(2,5-difluorophenyl)methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
CID 19624853
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
CID 19625585
1-(1,5-dimethylpyrazol-4-yl)-N-(pyridin-2-ylmethyl)ethanamine
CID 19626634
1,5-dimethyl-N-[[2-(trifluoromethyl)phenyl]methyl]pyrazole-4-sulfonamide
CID 35764474
(1R)-1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 81348504
1-(4-methylphenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 60944396
5-[[1-(1,5-dimethylpyrazol-4-yl)ethylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43751830

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine (CID 43435895) is 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is Cc1c(C(C)NCc2ccccc2C(F)(F)F)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
The InChIKey is BSZKNYVQCYZKJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3/c1-10(13-9-20-21(3)11(13)2)19-8-12-6-4-5-7-14(12)15(16,17)18/h4-7,9-10,19H,8H2,1-3H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine has a molecular weight of 297.32 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine is sourced from PubChem (CID 43435895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).