5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole

C18H25N3O2S — CID 126447347

IUPAC5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole
SMILESCCCn1nccc1S(=O)(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-12-21-17(10-11-19-21)24(22,23)20-13-16(18(2,3)14-20)15-8-6-5-7-9-15/h5-11,16H,4,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQYRJCLDXGTUNLM-MRXNPFEDSA-N
MW347.48 g/mol
LogP3.11
Rot. Bonds5

About 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole

5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole (PubChem CID 126447347) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole.

Molecular Properties

Compound Name5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole
PubChem CID126447347
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole
SMILESCCCn1nccc1S(=O)(=O)N1C[C@H](c2ccccc2)C(C)(C)C1
InChIInChI=1S/C18H25N3O2S/c1-4-12-21-17(10-11-19-21)24(22,23)20-13-16(18(2,3)14-20)15-8-6-5-7-9-15/h5-11,16H,4,12-14H2,1-3H3/t16-/m1/s1
InChIKeyQYRJCLDXGTUNLM-MRXNPFEDSA-N
XLogP3.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole?
The IUPAC name of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole (CID 126447347) is 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole.
What is the SMILES notation for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole?
The canonical SMILES for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole is CCCn1nccc1S(=O)(=O)N1C[C@H](c2ccccc2)C(C)(C)C1.
What is the InChIKey of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole?
The InChIKey is QYRJCLDXGTUNLM-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-4-12-21-17(10-11-19-21)24(22,23)20-13-16(18(2,3)14-20)15-8-6-5-7-9-15/h5-11,16H,4,12-14H2,1-3H3/t16-/m1/s1.
What are the key properties of 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole?
5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole has a molecular weight of 347.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4R)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]sulfonyl-1-propylpyrazole is sourced from PubChem (CID 126447347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).