2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

C17H20FN5O2 — CID 47069420

IUPAC2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CNc1ccc(-n2cccn2)c(F)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C17H20FN5O2/c18-14-10-13(4-5-15(14)23-9-3-6-21-23)19-11-16(24)20-12-17(25)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11-12H2,(H,20,24)
InChIKeyZRBVFVZUNKVEEV-UHFFFAOYSA-N
MW345.38 g/mol
LogP1.16
Rot. Bonds6

About 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide

2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (PubChem CID 47069420) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.

Molecular Properties

Compound Name2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
PubChem CID47069420
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide
SMILESO=C(CNc1ccc(-n2cccn2)c(F)c1)NCC(=O)N1CCCC1
InChIInChI=1S/C17H20FN5O2/c18-14-10-13(4-5-15(14)23-9-3-6-21-23)19-11-16(24)20-12-17(25)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11-12H2,(H,20,24)
InChIKeyZRBVFVZUNKVEEV-UHFFFAOYSA-N
XLogP1.16
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The IUPAC name of 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide (CID 47069420) is 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide.
What is the SMILES notation for 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The canonical SMILES for 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is O=C(CNc1ccc(-n2cccn2)c(F)c1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
The InChIKey is ZRBVFVZUNKVEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c18-14-10-13(4-5-15(14)23-9-3-6-21-23)19-11-16(24)20-12-17(25)22-7-1-2-8-22/h3-6,9-10,19H,1-2,7-8,11-12H2,(H,20,24).
What are the key properties of 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide?
2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide has a molecular weight of 345.38 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-pyrazol-1-ylanilino)-N-(2-oxo-2-pyrrolidin-1-ylethyl)acetamide is sourced from PubChem (CID 47069420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).