1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide

C8H13N5O3S — CID 54922375

IUPAC1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H13N5O3S/c9-7-6(4-11-12-7)17(15,16)13-3-1-2-5(13)8(10)14/h4-5H,1-3H2,(H2,10,14)(H3,9,11,12)
InChIKeyKCVLEVIJYTUEJE-UHFFFAOYSA-N
MW259.29 g/mol
LogP-1.37
Rot. Bonds3

About 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide

1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide (PubChem CID 54922375) has the molecular formula C8H13N5O3S and a molecular weight of 259.29 g/mol. Its IUPAC name is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
PubChem CID54922375
Molecular FormulaC8H13N5O3S
Molecular Weight259.29 g/mol
Exact Mass259.07
IUPAC Name1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N
InChIInChI=1S/C8H13N5O3S/c9-7-6(4-11-12-7)17(15,16)13-3-1-2-5(13)8(10)14/h4-5H,1-3H2,(H2,10,14)(H3,9,11,12)
InChIKeyKCVLEVIJYTUEJE-UHFFFAOYSA-N
XLogP-1.37
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide (CID 54922375) is 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1N.
What is the InChIKey of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
The InChIKey is KCVLEVIJYTUEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O3S/c9-7-6(4-11-12-7)17(15,16)13-3-1-2-5(13)8(10)14/h4-5H,1-3H2,(H2,10,14)(H3,9,11,12).
What are the key properties of 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide?
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide has a molecular weight of 259.29 g/mol, XLogP of -1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 54922375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).