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

C27H26FN5O3 — CID 3259468

IUPAC2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C27H26FN5O3/c1-3-32(27(35)29-21-11-15-23(36-2)16-12-21)18-26(34)30-25-17-24(19-7-5-4-6-8-19)31-33(25)22-13-9-20(28)10-14-22/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyDJNQASSAIOEPLM-UHFFFAOYSA-N
MW487.54 g/mol
LogP5.18
Rot. Bonds8

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

2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (PubChem CID 3259468) has the molecular formula C27H26FN5O3 and a molecular weight of 487.54 g/mol. Its IUPAC name is 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
PubChem CID3259468
Molecular FormulaC27H26FN5O3
Molecular Weight487.54 g/mol
Exact Mass487.20
IUPAC Name2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide
SMILESCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1
InChIInChI=1S/C27H26FN5O3/c1-3-32(27(35)29-21-11-15-23(36-2)16-12-21)18-26(34)30-25-17-24(19-7-5-4-6-8-19)31-33(25)22-13-9-20(28)10-14-22/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34)
InChIKeyDJNQASSAIOEPLM-UHFFFAOYSA-N
XLogP5.18
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.54
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The IUPAC name of 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide (CID 3259468) is 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide.
What is the SMILES notation for 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The canonical SMILES for 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is CCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)Nc1ccc(OC)cc1.
What is the InChIKey of 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
The InChIKey is DJNQASSAIOEPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26FN5O3/c1-3-32(27(35)29-21-11-15-23(36-2)16-12-21)18-26(34)30-25-17-24(19-7-5-4-6-8-19)31-33(25)22-13-9-20(28)10-14-22/h4-17H,3,18H2,1-2H3,(H,29,35)(H,30,34).
What are the key properties of 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide?
2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide has a molecular weight of 487.54 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methoxyphenyl)carbamoyl]amino]-N-[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]acetamide is sourced from PubChem (CID 3259468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).