1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

C10H14N4O3 — CID 54982181

IUPAC1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H14N4O3/c15-9(16)8-2-1-3-14(8)10(17)11-4-7-5-12-13-6-7/h5-6,8H,1-4H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyONYJLEXYSDXODR-UHFFFAOYSA-N
MW238.25 g/mol
LogP0.17
Rot. Bonds3

About 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid

1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 54982181) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID54982181
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)NCc1cn[nH]c1
InChIInChI=1S/C10H14N4O3/c15-9(16)8-2-1-3-14(8)10(17)11-4-7-5-12-13-6-7/h5-6,8H,1-4H2,(H,11,17)(H,12,13)(H,15,16)
InChIKeyONYJLEXYSDXODR-UHFFFAOYSA-N
XLogP0.17
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 54982181) is 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)NCc1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ONYJLEXYSDXODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c15-9(16)8-2-1-3-14(8)10(17)11-4-7-5-12-13-6-7/h5-6,8H,1-4H2,(H,11,17)(H,12,13)(H,15,16).
What are the key properties of 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid?
1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of 0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54982181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).