4-pyrrolidin-1-ylsulfonyl-1H-pyrazole

C7H11N3O2S — CID 60911160

IUPAC4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC1
InChIInChI=1S/C7H11N3O2S/c11-13(12,7-5-8-9-6-7)10-3-1-2-4-10/h5-6H,1-4H2,(H,8,9)
InChIKeySYFWZYPOTOGISN-UHFFFAOYSA-N
MW201.25 g/mol
LogP0.19
Rot. Bonds2

About 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole

4-pyrrolidin-1-ylsulfonyl-1H-pyrazole (PubChem CID 60911160) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
PubChem CID60911160
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
SMILESO=S(=O)(c1cn[nH]c1)N1CCCC1
InChIInChI=1S/C7H11N3O2S/c11-13(12,7-5-8-9-6-7)10-3-1-2-4-10/h5-6H,1-4H2,(H,8,9)
InChIKeySYFWZYPOTOGISN-UHFFFAOYSA-N
XLogP0.19
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole (CID 60911160) is 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole is O=S(=O)(c1cn[nH]c1)N1CCCC1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
The InChIKey is SYFWZYPOTOGISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c11-13(12,7-5-8-9-6-7)10-3-1-2-4-10/h5-6H,1-4H2,(H,8,9).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole?
4-pyrrolidin-1-ylsulfonyl-1H-pyrazole has a molecular weight of 201.25 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-1H-pyrazole is sourced from PubChem (CID 60911160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).