4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine

C12H14F3N5O — CID 130365911

IUPAC4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine
SMILESCCn1nc(COc2cc(N)nc(N)c2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-2-20-9(12(13,14)15)3-7(19-20)6-21-8-4-10(16)18-11(17)5-8/h3-5H,2,6H2,1H3,(H4,16,17,18)
InChIKeyNFYGTIYQLFLXTP-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.06
Rot. Bonds4

About 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine

4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine (PubChem CID 130365911) has the molecular formula C12H14F3N5O and a molecular weight of 301.27 g/mol. Its IUPAC name is 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine.

Molecular Properties

Compound Name4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine
PubChem CID130365911
Molecular FormulaC12H14F3N5O
Molecular Weight301.27 g/mol
Exact Mass301.12
IUPAC Name4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine
SMILESCCn1nc(COc2cc(N)nc(N)c2)cc1C(F)(F)F
InChIInChI=1S/C12H14F3N5O/c1-2-20-9(12(13,14)15)3-7(19-20)6-21-8-4-10(16)18-11(17)5-8/h3-5H,2,6H2,1H3,(H4,16,17,18)
InChIKeyNFYGTIYQLFLXTP-UHFFFAOYSA-N
XLogP2.06
TPSA91.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-2-yloxymethyl)pyridin-2-amine
CID 71813811
5-(3-Ethoxy-5-trifluoromethyl-pyrazol-1-yl)-pyridin-2-ylamine
CID 57861833
3-[(4-Chlorophenyl)diazenyl]-4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine
CID 118949362
4-[[1-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,3,6-triamine
CID 118950023
tert-butyl N-[6-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridin-2-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 130365885
N-(aminomethylidene)-2-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-N'-methylethanimidamide
CID 132207079
N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-[(2E)-3-imino-2-(methylhydrazinylidene)propoxy]pyridin-2-amine
CID 132207205
(Z)-3-[[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)-4-pyridinyl]oxy]-2-N-methylprop-1-ene-1,2-diamine
CID 132207824
4-[[1-Ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine
CID 154403788
3-Ethoxy-2-[5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 167265394
6-(4-Amino-1-methylpyrazol-3-yl)-3-fluoro-5-prop-2-enoxypyridin-2-amine
CID 169946691
N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)-4-(2-hydrazinylidene-3-methyliminopropoxy)pyridin-2-amine
CID 173734320

Frequently Asked Questions

What is the IUPAC name of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine?
The IUPAC name of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine (CID 130365911) is 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine.
What is the SMILES notation for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine?
The canonical SMILES for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine is CCn1nc(COc2cc(N)nc(N)c2)cc1C(F)(F)F.
What is the InChIKey of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine?
The InChIKey is NFYGTIYQLFLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N5O/c1-2-20-9(12(13,14)15)3-7(19-20)6-21-8-4-10(16)18-11(17)5-8/h3-5H,2,6H2,1H3,(H4,16,17,18).
What are the key properties of 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine?
4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine has a molecular weight of 301.27 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-ethyl-5-(trifluoromethyl)pyrazol-3-yl]methoxy]pyridine-2,6-diamine is sourced from PubChem (CID 130365911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).