1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C11H18N4O3S — CID 43540452

IUPAC1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O3S/c1-2-6-19(17,18)15-5-3-4-10(15)11(16)14-9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13)(H,14,16)
InChIKeyRNADVPAIYFOBFF-UHFFFAOYSA-N
MW286.36 g/mol
LogP0.55
Rot. Bonds5

About 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 43540452) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID43540452
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCCCS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C11H18N4O3S/c1-2-6-19(17,18)15-5-3-4-10(15)11(16)14-9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13)(H,14,16)
InChIKeyRNADVPAIYFOBFF-UHFFFAOYSA-N
XLogP0.55
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 43540452) is 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is CCCS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is RNADVPAIYFOBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-6-19(17,18)15-5-3-4-10(15)11(16)14-9-7-12-13-8-9/h7-8,10H,2-6H2,1H3,(H,12,13)(H,14,16).
What are the key properties of 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43540452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).