1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

C14H16N4O3 — CID 43355439

IUPAC1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ncc(C(=O)N2CCCC2C(=O)O)c1-n1cccc1
InChIInChI=1S/C14H16N4O3/c1-16-12(17-6-2-3-7-17)10(9-15-16)13(19)18-8-4-5-11(18)14(20)21/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21)
InChIKeyMNXHBHXTOVEDOE-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.90
Rot. Bonds3

About 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid

1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43355439) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43355439
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESCn1ncc(C(=O)N2CCCC2C(=O)O)c1-n1cccc1
InChIInChI=1S/C14H16N4O3/c1-16-12(17-6-2-3-7-17)10(9-15-16)13(19)18-8-4-5-11(18)14(20)21/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21)
InChIKeyMNXHBHXTOVEDOE-UHFFFAOYSA-N
XLogP0.90
TPSA80.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3-hydroxyazetidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 55178974
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)-N-phenylpiperidine-3-carboxamide
CID 134053187
(2R)-1-(4-pyrrol-1-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 51663819
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
N-[1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)piperidin-4-yl]benzamide
CID 38140397
1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl fluoride
CID 58724547
(2R)-1-(5-methyl-1H-pyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 78993916
(2S)-1-(3-hydroxypyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 81446552
(3-hydroxy-3-methylpiperidin-1-yl)-(1-methyl-5-pyrrol-1-ylpyrazol-4-yl)methanone
CID 115875027
(2R)-1-[1-(2-chlorophenyl)-5-methylpyrazole-4-carbonyl]pyrrolidine-2-carboxylic acid
CID 119370990
1-(5-amino-1-methylpyrazole-4-carbonyl)-N-methylpyrrolidine-2-carboxamide
CID 113288544
(2R)-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 28741403

Frequently Asked Questions

What is the IUPAC name of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 43355439) is 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is Cn1ncc(C(=O)N2CCCC2C(=O)O)c1-n1cccc1.
What is the InChIKey of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is MNXHBHXTOVEDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-16-12(17-6-2-3-7-17)10(9-15-16)13(19)18-8-4-5-11(18)14(20)21/h2-3,6-7,9,11H,4-5,8H2,1H3,(H,20,21).
What are the key properties of 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid?
1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 288.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43355439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).