ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate

C28H35N5O5 — CID 4253936

IUPACethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C28H35N5O5/c1-6-38-25(35)16-29-28(36)32(17-19(2)3)18-24(34)30-27-26(21-10-8-7-9-11-21)20(4)31-33(27)22-12-14-23(37-5)15-13-22/h7-15,19H,6,16-18H2,1-5H3,(H,29,36)(H,30,34)
InChIKeyWVFOBYVQLVHZCB-UHFFFAOYSA-N
MW521.62 g/mol
LogP4.03
Rot. Bonds11

About ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate

ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate (PubChem CID 4253936) has the molecular formula C28H35N5O5 and a molecular weight of 521.62 g/mol. Its IUPAC name is ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
PubChem CID4253936
Molecular FormulaC28H35N5O5
Molecular Weight521.62 g/mol
Exact Mass521.26
IUPAC Nameethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)CC(C)C
InChIInChI=1S/C28H35N5O5/c1-6-38-25(35)16-29-28(36)32(17-19(2)3)18-24(34)30-27-26(21-10-8-7-9-11-21)20(4)31-33(27)22-12-14-23(37-5)15-13-22/h7-15,19H,6,16-18H2,1-5H3,(H,29,36)(H,30,34)
InChIKeyWVFOBYVQLVHZCB-UHFFFAOYSA-N
XLogP4.03
TPSA114.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.62
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate with MolForge

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Related Compounds

N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-methyl-N-(2-methylpropyl)propanamide
CID 42734974
N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]-2-[(4-methylphenyl)carbamoyl-(2-methylpropyl)amino]acetamide
CID 1056550
2-[cyclohexylcarbamoyl(2-methylpropyl)amino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 1056546
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 1056457
2-[(4-methoxyphenyl)carbamoyl-propylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3898476
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-2-phenyl-N-propan-2-ylacetamide
CID 1056466
N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)thiophene-2-carboxamide
CID 1056433
4-tert-butyl-N-[2-[[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 3925295
2-[butyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[3-methyl-1-(4-methylphenyl)-4-phenylpyrazol-5-yl]acetamide
CID 4648243
ethyl 2-[[[2-[[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate
CID 42732608
N-[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-N-propylcyclopentanecarboxamide
CID 1056480
2-[(2-bromophenyl)carbamoyl-butylamino]-N-[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]acetamide
CID 3925296

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate (CID 4253936) is ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(=O)Nc1c(-c2ccccc2)c(C)nn1-c1ccc(OC)cc1)CC(C)C.
What is the InChIKey of ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
The InChIKey is WVFOBYVQLVHZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O5/c1-6-38-25(35)16-29-28(36)32(17-19(2)3)18-24(34)30-27-26(21-10-8-7-9-11-21)20(4)31-33(27)22-12-14-23(37-5)15-13-22/h7-15,19H,6,16-18H2,1-5H3,(H,29,36)(H,30,34).
What are the key properties of ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate?
ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate has a molecular weight of 521.62 g/mol, XLogP of 4.03, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[[2-[[1-(4-methoxyphenyl)-3-methyl-4-phenylpyrazol-5-yl]amino]-2-oxoethyl]-(2-methylpropyl)carbamoyl]amino]acetate is sourced from PubChem (CID 4253936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).