1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine

C13H18F3N5 — CID 19625585

IUPAC1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCc1c(C(C)NCc2cc(C(F)(F)F)nn2C)cnn1C
InChIInChI=1S/C13H18F3N5/c1-8(11-7-18-20(3)9(11)2)17-6-10-5-12(13(14,15)16)19-21(10)4/h5,7-8,17H,6H2,1-4H3
InChIKeyZCJJRUMSCVEHRX-UHFFFAOYSA-N
MW301.32 g/mol
LogP2.33
Rot. Bonds4

About 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine

1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine (PubChem CID 19625585) has the molecular formula C13H18F3N5 and a molecular weight of 301.32 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
PubChem CID19625585
Molecular FormulaC13H18F3N5
Molecular Weight301.32 g/mol
Exact Mass301.15
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine
SMILESCc1c(C(C)NCc2cc(C(F)(F)F)nn2C)cnn1C
InChIInChI=1S/C13H18F3N5/c1-8(11-7-18-20(3)9(11)2)17-6-10-5-12(13(14,15)16)19-21(10)4/h5,7-8,17H,6H2,1-4H3
InChIKeyZCJJRUMSCVEHRX-UHFFFAOYSA-N
XLogP2.33
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine (CID 19625585) is 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine is Cc1c(C(C)NCc2cc(C(F)(F)F)nn2C)cnn1C.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine?
The InChIKey is ZCJJRUMSCVEHRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N5/c1-8(11-7-18-20(3)9(11)2)17-6-10-5-12(13(14,15)16)19-21(10)4/h5,7-8,17H,6H2,1-4H3.
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine?
1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine has a molecular weight of 301.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 19625585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).