1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide

C8H12N4O3S — CID 47267523

IUPAC1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O3S/c9-8(13)7-2-1-3-12(7)16(14,15)6-4-10-11-5-6/h4-5,7H,1-3H2,(H2,9,13)(H,10,11)
InChIKeyFVBZWAQRYNCJRM-UHFFFAOYSA-N
MW244.28 g/mol
LogP-0.95
Rot. Bonds3

About 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide

1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 47267523) has the molecular formula C8H12N4O3S and a molecular weight of 244.28 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID47267523
Molecular FormulaC8H12N4O3S
Molecular Weight244.28 g/mol
Exact Mass244.06
IUPAC Name1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C8H12N4O3S/c9-8(13)7-2-1-3-12(7)16(14,15)6-4-10-11-5-6/h4-5,7H,1-3H2,(H2,9,13)(H,10,11)
InChIKeyFVBZWAQRYNCJRM-UHFFFAOYSA-N
XLogP-0.95
TPSA109.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide (CID 47267523) is 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide is NC(=O)C1CCCN1S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is FVBZWAQRYNCJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3S/c9-8(13)7-2-1-3-12(7)16(14,15)6-4-10-11-5-6/h4-5,7H,1-3H2,(H2,9,13)(H,10,11).
What are the key properties of 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide?
1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 244.28 g/mol, XLogP of -0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 47267523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).