4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile

C19H15N5O2 — CID 156860330

IUPAC4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c[nH]n(-c3ccc(N4CCCC4=O)cn3)c2=O)cc1
InChIInChI=1S/C19H15N5O2/c20-10-13-3-5-14(6-4-13)16-12-22-24(19(16)26)17-8-7-15(11-21-17)23-9-1-2-18(23)25/h3-8,11-12,22H,1-2,9H2
InChIKeySLMUJVXDLMVUBH-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.23
Rot. Bonds3

About 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile

4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile (PubChem CID 156860330) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile
PubChem CID156860330
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile
SMILESN#Cc1ccc(-c2c[nH]n(-c3ccc(N4CCCC4=O)cn3)c2=O)cc1
InChIInChI=1S/C19H15N5O2/c20-10-13-3-5-14(6-4-13)16-12-22-24(19(16)26)17-8-7-15(11-21-17)23-9-1-2-18(23)25/h3-8,11-12,22H,1-2,9H2
InChIKeySLMUJVXDLMVUBH-UHFFFAOYSA-N
XLogP2.23
TPSA94.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile?
The IUPAC name of 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile (CID 156860330) is 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile?
The canonical SMILES for 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile is N#Cc1ccc(-c2c[nH]n(-c3ccc(N4CCCC4=O)cn3)c2=O)cc1.
What is the InChIKey of 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile?
The InChIKey is SLMUJVXDLMVUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c20-10-13-3-5-14(6-4-13)16-12-22-24(19(16)26)17-8-7-15(11-21-17)23-9-1-2-18(23)25/h3-8,11-12,22H,1-2,9H2.
What are the key properties of 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile?
4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile has a molecular weight of 345.36 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-oxo-2-[5-(2-oxopyrrolidin-1-yl)-2-pyridinyl]-1H-pyrazol-4-yl]benzonitrile is sourced from PubChem (CID 156860330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).