3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C17H20N4O2S — CID 167807564

IUPAC3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1C1=CCN(S(=O)(=O)c2cnn3c2CNCC3)C1
InChIInChI=1S/C17H20N4O2S/c1-13-4-2-3-5-15(13)14-6-8-20(12-14)24(22,23)17-11-19-21-9-7-18-10-16(17)21/h2-6,11,18H,7-10,12H2,1H3
InChIKeyJZDOVLPOYPTYOW-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.38
Rot. Bonds3

About 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 167807564) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID167807564
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC Name3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCc1ccccc1C1=CCN(S(=O)(=O)c2cnn3c2CNCC3)C1
InChIInChI=1S/C17H20N4O2S/c1-13-4-2-3-5-15(13)14-6-8-20(12-14)24(22,23)17-11-19-21-9-7-18-10-16(17)21/h2-6,11,18H,7-10,12H2,1H3
InChIKeyJZDOVLPOYPTYOW-UHFFFAOYSA-N
XLogP1.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 167807564) is 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is Cc1ccccc1C1=CCN(S(=O)(=O)c2cnn3c2CNCC3)C1.
What is the InChIKey of 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is JZDOVLPOYPTYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-13-4-2-3-5-15(13)14-6-8-20(12-14)24(22,23)17-11-19-21-9-7-18-10-16(17)21/h2-6,11,18H,7-10,12H2,1H3.
What are the key properties of 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 344.44 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(2-methylphenyl)-2,5-dihydropyrrol-1-yl]sulfonyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 167807564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).