5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole

C11H19N3O2S — CID 63932853

IUPAC5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C11H19N3O2S/c1-8(2)10-5-4-6-14(10)17(15,16)11-7-12-13-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyANJWHVUQPTXYTA-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.53
Rot. Bonds3

About 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole

5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole (PubChem CID 63932853) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
PubChem CID63932853
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC Name5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole
SMILESCc1[nH]ncc1S(=O)(=O)N1CCCC1C(C)C
InChIInChI=1S/C11H19N3O2S/c1-8(2)10-5-4-6-14(10)17(15,16)11-7-12-13-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,12,13)
InChIKeyANJWHVUQPTXYTA-UHFFFAOYSA-N
XLogP1.53
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dimethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
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4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 60958991
4-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]pyrrolidin-2-yl]pyridine
CID 60910841
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-ol
CID 79559692
5-methyl-4-[(2S)-2-(5-methylfuran-2-yl)pyrrolidin-1-yl]sulfonyl-1H-pyrazole
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CID 54877045
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azocane
CID 54929965
1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]azepan-2-yl]propan-2-one
CID 79553067
[4-methyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperazin-2-yl]methanamine
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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The IUPAC name of 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole (CID 63932853) is 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole.
What is the SMILES notation for 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The canonical SMILES for 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole is Cc1[nH]ncc1S(=O)(=O)N1CCCC1C(C)C.
What is the InChIKey of 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
The InChIKey is ANJWHVUQPTXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-8(2)10-5-4-6-14(10)17(15,16)11-7-12-13-9(11)3/h7-8,10H,4-6H2,1-3H3,(H,12,13).
What are the key properties of 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole?
5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole has a molecular weight of 257.36 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonyl-1H-pyrazole is sourced from PubChem (CID 63932853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).