2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

C20H22N6O4 — CID 19485720

IUPAC2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H22N6O4/c1-2-25-12-15(23-17(27)13-26-16(20(29)30)9-11-22-26)18(24-25)19(28)21-10-8-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,28)(H,23,27)(H,29,30)
InChIKeyOOBDYINFTLZFKM-UHFFFAOYSA-N
MW410.43 g/mol
LogP1.41
Rot. Bonds9

About 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid

2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (PubChem CID 19485720) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
PubChem CID19485720
Molecular FormulaC20H22N6O4
Molecular Weight410.43 g/mol
Exact Mass410.17
IUPAC Name2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
SMILESCCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCCc2ccccc2)n1
InChIInChI=1S/C20H22N6O4/c1-2-25-12-15(23-17(27)13-26-16(20(29)30)9-11-22-26)18(24-25)19(28)21-10-8-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,28)(H,23,27)(H,29,30)
InChIKeyOOBDYINFTLZFKM-UHFFFAOYSA-N
XLogP1.41
TPSA131.14 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid with MolForge

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Related Compounds

2-[2-[[3-(cyclohexylcarbamoyl)-1-ethylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485722
2-[2-oxo-2-(2-phenylethylamino)ethyl]pyrazole-3-carboxylic acid
CID 19485535
1-ethyl-N-phenyl-4-(3-phenylpropanoylamino)pyrazole-3-carboxamide
CID 19404606
(1S,2R,3R,4R)-3-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]carbamoyl]-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 51707767
2-[2-[(1-ethylpyrazol-4-yl)amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485746
2-[2-[[3-(furan-2-ylmethylcarbamoyl)-1-methylpyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485639
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19402564
2-(4-chlorophenyl)-N-[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]quinoline-4-carboxamide
CID 17375453
2-[2-[[4-chloro-1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-3-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485764
1-ethyl-N-(2-methylpropyl)-4-[3-(5-methylpyrazol-1-yl)propanoylamino]pyrazole-3-carboxamide
CID 19570015
2-[2-(4-ethylanilino)-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485417
4-[[2-(benzotriazol-1-yl)acetyl]amino]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410760

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The IUPAC name of 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid (CID 19485720) is 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid.
What is the SMILES notation for 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The canonical SMILES for 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is CCn1cc(NC(=O)Cn2nccc2C(=O)O)c(C(=O)NCCc2ccccc2)n1.
What is the InChIKey of 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
The InChIKey is OOBDYINFTLZFKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-2-25-12-15(23-17(27)13-26-16(20(29)30)9-11-22-26)18(24-25)19(28)21-10-8-14-6-4-3-5-7-14/h3-7,9,11-12H,2,8,10,13H2,1H3,(H,21,28)(H,23,27)(H,29,30).
What are the key properties of 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid?
2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid has a molecular weight of 410.43 g/mol, XLogP of 1.41, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[1-ethyl-3-(2-phenylethylcarbamoyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid is sourced from PubChem (CID 19485720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).