2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide

C28H29N5O4 — CID 1062178

IUPAC2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C28H29N5O4/c1-4-32(28(35)29-23-12-8-9-13-25(23)37-3)19-27(34)30-26-18-24(20-10-6-5-7-11-20)31-33(26)21-14-16-22(36-2)17-15-21/h5-18H,4,19H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyFLUWASACCQMLBU-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.05
Rot. Bonds9

About 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide

2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 1062178) has the molecular formula C28H29N5O4 and a molecular weight of 499.57 g/mol. Its IUPAC name is 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID1062178
Molecular FormulaC28H29N5O4
Molecular Weight499.57 g/mol
Exact Mass499.22
IUPAC Name2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)Nc1ccccc1OC
InChIInChI=1S/C28H29N5O4/c1-4-32(28(35)29-23-12-8-9-13-25(23)37-3)19-27(34)30-26-18-24(20-10-6-5-7-11-20)31-33(26)21-14-16-22(36-2)17-15-21/h5-18H,4,19H2,1-3H3,(H,29,35)(H,30,34)
InChIKeyFLUWASACCQMLBU-UHFFFAOYSA-N
XLogP5.05
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[4-(2-morpholin-4-ylethoxy)phenyl]urea
CID 10972838
2-((5-(4-Methoxyphenylamino)-1,3,4-oxadiazol-2-yl)methyl)-5,6-diphenyl-1,2,4-triazin-3(2H)-one (3c)
CID 122198619
N-(2-Methoxy-phenyl)-2-(4-oxo-1-phenyl-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)-acetamide
CID 655913
N-[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-[4-(2-methoxyphenyl)piperazin-1-yl]acetamide;hydrochloride
CID 6602942
N-(4-ethoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026211
N-(2-methoxy-5-methylphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16026217
N-(5-chloro-2-methoxyphenyl)-2-[1-(4-ethylphenyl)-3,4-dimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl]acetamide
CID 16026309
2-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 16026527
2-(1,3-dimethyl-6-oxo-4-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 16026590
N-[3-(2-fluorophenyl)-1-phenyl-1H-pyrazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 16030775
N-(4-methoxyphenyl)-2-(1,3,4-trimethyl-6-oxopyrazolo[5,4-b]pyridin-7-yl)acetamide
CID 16034524
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[2-methylpropyl-(2-phenoxyacetyl)amino]acetamide
CID 42733093

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide (CID 1062178) is 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(OC)cc1)C(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is FLUWASACCQMLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O4/c1-4-32(28(35)29-23-12-8-9-13-25(23)37-3)19-27(34)30-26-18-24(20-10-6-5-7-11-20)31-33(26)21-14-16-22(36-2)17-15-21/h5-18H,4,19H2,1-3H3,(H,29,35)(H,30,34).
What are the key properties of 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 499.57 g/mol, XLogP of 5.05, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(2-methoxyphenyl)carbamoyl]amino]-N-[1-(4-methoxyphenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 1062178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).