[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

C20H19N7O2S — CID 25461566

IUPAC[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C20H19N7O2S/c1-26(2)20-23-16(22-19(21)24-20)12-29-18(28)14-11-27(13-7-4-3-5-8-13)25-17(14)15-9-6-10-30-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyTXIYFKQPZFEQQP-UHFFFAOYSA-N
MW421.49 g/mol
LogP2.79
Rot. Bonds6

About [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate

[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (PubChem CID 25461566) has the molecular formula C20H19N7O2S and a molecular weight of 421.49 g/mol. Its IUPAC name is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
PubChem CID25461566
Molecular FormulaC20H19N7O2S
Molecular Weight421.49 g/mol
Exact Mass421.13
IUPAC Name[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
SMILESCN(C)c1nc(N)nc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1
InChIInChI=1S/C20H19N7O2S/c1-26(2)20-23-16(22-19(21)24-20)12-29-18(28)14-11-27(13-7-4-3-5-8-13)25-17(14)15-9-6-10-30-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24)
InChIKeyTXIYFKQPZFEQQP-UHFFFAOYSA-N
XLogP2.79
TPSA112.05 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.49
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate with MolForge

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Related Compounds

2-methoxyethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 27914141
cyanomethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2579298
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 9339873
2-(4-methoxyphenyl)ethyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 7841176
[2-(4-acetamidoanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530570
[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2362092
N-[3-(dimethylamino)propyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2333924
N-ethyl-N,1-diphenyl-3-thiophen-2-ylpyrazole-4-carboxamide
CID 2308237
1-phenyl-N-[4-[(1-phenyl-3-thiophen-2-ylpyrazole-4-carbonyl)amino]butyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 4048100
[2-(1-cyclopropylethylamino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 55398793
[2-[[(1R,2R,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 2580340
[2-(3,4-dimethoxyanilino)-2-oxoethyl] 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate
CID 16530567

Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The IUPAC name of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate (CID 25461566) is [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate.
What is the SMILES notation for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The canonical SMILES for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is CN(C)c1nc(N)nc(COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)n1.
What is the InChIKey of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
The InChIKey is TXIYFKQPZFEQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O2S/c1-26(2)20-23-16(22-19(21)24-20)12-29-18(28)14-11-27(13-7-4-3-5-8-13)25-17(14)15-9-6-10-30-15/h3-11H,12H2,1-2H3,(H2,21,22,23,24).
What are the key properties of [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate?
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate has a molecular weight of 421.49 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 1-phenyl-3-thiophen-2-ylpyrazole-4-carboxylate is sourced from PubChem (CID 25461566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).