1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid

C9H8N4O3 — CID 168691504

IUPAC1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESN#Cc1cn[nH]c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H8N4O3/c10-2-6-3-11-12-8(6)13-4-5(9(15)16)1-7(13)14/h3,5H,1,4H2,(H,11,12)(H,15,16)
InChIKeySHZXYBBBZBXPDE-UHFFFAOYSA-N
MW220.19 g/mol
LogP-0.28
Rot. Bonds2

About 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691504) has the molecular formula C9H8N4O3 and a molecular weight of 220.19 g/mol. Its IUPAC name is 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691504
Molecular FormulaC9H8N4O3
Molecular Weight220.19 g/mol
Exact Mass220.06
IUPAC Name1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid
SMILESN#Cc1cn[nH]c1N1CC(C(=O)O)CC1=O
InChIInChI=1S/C9H8N4O3/c10-2-6-3-11-12-8(6)13-4-5(9(15)16)1-7(13)14/h3,5H,1,4H2,(H,11,12)(H,15,16)
InChIKeySHZXYBBBZBXPDE-UHFFFAOYSA-N
XLogP-0.28
TPSA110.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chloro-2-oxopyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
CID 168688855
1-(5-bromo-2-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 114002446
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
5-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)-1H-pyrazole-4-carbonitrile
CID 103500176
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
(3R)-1-(3-cyanophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 30121276
1-(5-cyano-2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691672
1-(5-bromo-3-cyano-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168697511
5-(5-methyl-1,3-dioxo-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrol-2-yl)-1H-pyrazole-4-carbonitrile
CID 114392264
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
CID 28875657
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
4-chloro-1-(4-phenyl-1H-pyrazol-5-yl)pyrrolidin-2-one
CID 168688854

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid (CID 168691504) is 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid is N#Cc1cn[nH]c1N1CC(C(=O)O)CC1=O.
What is the InChIKey of 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is SHZXYBBBZBXPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O3/c10-2-6-3-11-12-8(6)13-4-5(9(15)16)1-7(13)14/h3,5H,1,4H2,(H,11,12)(H,15,16).
What are the key properties of 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 220.19 g/mol, XLogP of -0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-1H-pyrazol-5-yl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).