1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole

C11H15N5O2S — CID 110257208

IUPAC1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCn1cc(S(=O)(=O)N2CCCC2c2ccn[nH]2)cn1
InChIInChI=1S/C11H15N5O2S/c1-15-8-9(7-13-15)19(17,18)16-6-2-3-11(16)10-4-5-12-14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,14)
InChIKeyYNASIABLPGBWKE-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.67
Rot. Bonds3

About 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole

1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole (PubChem CID 110257208) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole.

Molecular Properties

Compound Name1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
PubChem CID110257208
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole
SMILESCn1cc(S(=O)(=O)N2CCCC2c2ccn[nH]2)cn1
InChIInChI=1S/C11H15N5O2S/c1-15-8-9(7-13-15)19(17,18)16-6-2-3-11(16)10-4-5-12-14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,14)
InChIKeyYNASIABLPGBWKE-UHFFFAOYSA-N
XLogP0.67
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The IUPAC name of 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole (CID 110257208) is 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole.
What is the SMILES notation for 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The canonical SMILES for 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole is Cn1cc(S(=O)(=O)N2CCCC2c2ccn[nH]2)cn1.
What is the InChIKey of 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole?
The InChIKey is YNASIABLPGBWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-15-8-9(7-13-15)19(17,18)16-6-2-3-11(16)10-4-5-12-14-10/h4-5,7-8,11H,2-3,6H2,1H3,(H,12,14).
What are the key properties of 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole?
1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole has a molecular weight of 281.34 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]sulfonylpyrazole is sourced from PubChem (CID 110257208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).