1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine

C12H16F3N5 — CID 122166754

IUPAC1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
SMILESCc1cc(CNCc2cc(C(F)(F)F)nn2C)n(C)n1
InChIInChI=1S/C12H16F3N5/c1-8-4-9(19(2)17-8)6-16-7-10-5-11(12(13,14)15)18-20(10)3/h4-5,16H,6-7H2,1-3H3
InChIKeyWLUQVCYQRPNILV-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.77
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine

1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine (PubChem CID 122166754) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
PubChem CID122166754
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine
SMILESCc1cc(CNCc2cc(C(F)(F)F)nn2C)n(C)n1
InChIInChI=1S/C12H16F3N5/c1-8-4-9(19(2)17-8)6-16-7-10-5-11(12(13,14)15)18-20(10)3/h4-5,16H,6-7H2,1-3H3
InChIKeyWLUQVCYQRPNILV-UHFFFAOYSA-N
XLogP1.77
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine with MolForge

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Related Compounds

N-[(1-ethyl-5-fluoro-3-methylpyrazol-4-yl)methyl]-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanamine
CID 122169256
1-methyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]pyrazol-3-amine;hydrochloride
CID 126967785
3-ethoxy-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]propan-1-amine
CID 122166315
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126965966
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-[2-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 122166741
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79358821
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2,5-dimethylpyrazol-3-yl)methanamine
CID 114180444
2-chloro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]acetamide
CID 166407820
N-[(2,5-dimethylpyrazol-3-yl)methyl]-4-(4-methylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44824552
3,4-difluoro-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]aniline
CID 19626174
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-pyridazin-3-ylmethanamine
CID 106895860
N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-(1-propylpyrazol-3-yl)methanamine;hydrochloride
CID 126965948

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine (CID 122166754) is 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine is Cc1cc(CNCc2cc(C(F)(F)F)nn2C)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
The InChIKey is WLUQVCYQRPNILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-8-4-9(19(2)17-8)6-16-7-10-5-11(12(13,14)15)18-20(10)3/h4-5,16H,6-7H2,1-3H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine?
1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine has a molecular weight of 287.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-N-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]methanamine is sourced from PubChem (CID 122166754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).