1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine

C12H16F3N5 — CID 19626309

IUPAC1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2cc(C(F)(F)F)n(C)n2)c(C)n1
InChIInChI=1S/C12H16F3N5/c1-4-20-7-10(8(2)17-20)16-6-9-5-11(12(13,14)15)19(3)18-9/h5,7,16H,4,6H2,1-3H3
InChIKeyLNCAPMRUKGLMRA-UHFFFAOYSA-N
MW287.29 g/mol
LogP2.58
Rot. Bonds4

About 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine

1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine (PubChem CID 19626309) has the molecular formula C12H16F3N5 and a molecular weight of 287.29 g/mol. Its IUPAC name is 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine
PubChem CID19626309
Molecular FormulaC12H16F3N5
Molecular Weight287.29 g/mol
Exact Mass287.14
IUPAC Name1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine
SMILESCCn1cc(NCc2cc(C(F)(F)F)n(C)n2)c(C)n1
InChIInChI=1S/C12H16F3N5/c1-4-20-7-10(8(2)17-20)16-6-9-5-11(12(13,14)15)19(3)18-9/h5,7,16H,4,6H2,1-3H3
InChIKeyLNCAPMRUKGLMRA-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-3-methylpyrazol-4-amine
CID 164664743
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122167189
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine
CID 122168571
N-[(1-ethylpyrazol-3-yl)methyl]-3-methyl-1-propylpyrazol-4-amine;hydrochloride
CID 126966840
3-chloro-4-fluoro-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]aniline;hydrochloride
CID 168863915
N-benzyl-1-ethyl-3-methylpyrazol-4-amine;hydrochloride
CID 126964772
N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pentan-1-amine;hydrochloride
CID 126964251
2-(6-methyl-3-pyridinyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]propan-2-amine
CID 167880025
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanamine;hydrochloride
CID 126968345
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187
1-ethyl-N-(furan-2-ylmethyl)-3-methylpyrazol-4-amine
CID 19626815
1-ethyl-3-methyl-N-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrazol-4-amine
CID 58007521

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine?
The IUPAC name of 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine (CID 19626309) is 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine.
What is the SMILES notation for 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine?
The canonical SMILES for 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine is CCn1cc(NCc2cc(C(F)(F)F)n(C)n2)c(C)n1.
What is the InChIKey of 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine?
The InChIKey is LNCAPMRUKGLMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N5/c1-4-20-7-10(8(2)17-20)16-6-9-5-11(12(13,14)15)19(3)18-9/h5,7,16H,4,6H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine?
1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine has a molecular weight of 287.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methyl]pyrazol-4-amine is sourced from PubChem (CID 19626309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).