1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

C8H11N3O4S — CID 102690635

IUPAC1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O4S/c12-8(13)6-2-1-5-11(6)16(14,15)7-3-4-9-10-7/h3-4,6H,1-2,5H2,(H,9,10)(H,12,13)
InChIKeyCYWBCLNWBVFFFZ-UHFFFAOYSA-N
MW245.26 g/mol
LogP-0.35
Rot. Bonds3

About 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid

1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (PubChem CID 102690635) has the molecular formula C8H11N3O4S and a molecular weight of 245.26 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
PubChem CID102690635
Molecular FormulaC8H11N3O4S
Molecular Weight245.26 g/mol
Exact Mass245.05
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1S(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C8H11N3O4S/c12-8(13)6-2-1-5-11(6)16(14,15)7-3-4-9-10-7/h3-4,6H,1-2,5H2,(H,9,10)(H,12,13)
InChIKeyCYWBCLNWBVFFFZ-UHFFFAOYSA-N
XLogP-0.35
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid (CID 102690635) is 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1S(=O)(=O)c1ccn[nH]1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is CYWBCLNWBVFFFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O4S/c12-8(13)6-2-1-5-11(6)16(14,15)7-3-4-9-10-7/h3-4,6H,1-2,5H2,(H,9,10)(H,12,13).
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid?
1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.26 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102690635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).