2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

C19H24N4O2 — CID 75374677

IUPAC2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOYFRMTUWWPRTKG-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.93
Rot. Bonds7

About 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide

2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (PubChem CID 75374677) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
PubChem CID75374677
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide
SMILESCCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O
InChIInChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25)
InChIKeyOYFRMTUWWPRTKG-UHFFFAOYSA-N
XLogP1.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The IUPAC name of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide (CID 75374677) is 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The canonical SMILES for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is CCC(C(=O)NCCc1ccn(-c2ccccc2)n1)N1CCCC1=O.
What is the InChIKey of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
The InChIKey is OYFRMTUWWPRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-2-17(22-13-6-9-18(22)24)19(25)20-12-10-15-11-14-23(21-15)16-7-4-3-5-8-16/h3-5,7-8,11,14,17H,2,6,9-10,12-13H2,1H3,(H,20,25).
What are the key properties of 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide?
2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide has a molecular weight of 340.43 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxopyrrolidin-1-yl)-N-[2-(1-phenylpyrazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 75374677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).