ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate

C20H20N4O3 — CID 108805316

IUPACethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)c1cnn(-c2ccccn2)c1C)c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-3-27-20(26)18(15-9-5-4-6-10-15)23-19(25)16-13-22-24(14(16)2)17-11-7-8-12-21-17/h4-13,18H,3H2,1-2H3,(H,23,25)
InChIKeyNRCJOTRSEZDNRD-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.61
Rot. Bonds6

About ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate

ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate (PubChem CID 108805316) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
PubChem CID108805316
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate
SMILESCCOC(=O)C(NC(=O)c1cnn(-c2ccccn2)c1C)c1ccccc1
InChIInChI=1S/C20H20N4O3/c1-3-27-20(26)18(15-9-5-4-6-10-15)23-19(25)16-13-22-24(14(16)2)17-11-7-8-12-21-17/h4-13,18H,3H2,1-2H3,(H,23,25)
InChIKeyNRCJOTRSEZDNRD-UHFFFAOYSA-N
XLogP2.61
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
5-methyl-1-pyridin-2-ylpyrazole-4-carbohydrazide
CID 10998462
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
5-methyl-N-octyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793376
3-(4-hydroxyphenyl)-2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793413
N-tert-butyl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 47166966
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-[2-(2-hydroxyethyl)pentyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 111662368
1-(6-ethoxypyridazin-3-yl)-5-methyl-N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]pyrazole-4-carboxamide
CID 31358493
N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 97066487

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The IUPAC name of ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate (CID 108805316) is ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate.
What is the SMILES notation for ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The canonical SMILES for ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate is CCOC(=O)C(NC(=O)c1cnn(-c2ccccn2)c1C)c1ccccc1.
What is the InChIKey of ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate?
The InChIKey is NRCJOTRSEZDNRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-3-27-20(26)18(15-9-5-4-6-10-15)23-19(25)16-13-22-24(14(16)2)17-11-7-8-12-21-17/h4-13,18H,3H2,1-2H3,(H,23,25).
What are the key properties of ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate?
ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate has a molecular weight of 364.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]-2-phenylacetate is sourced from PubChem (CID 108805316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).