2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine

C15H21N5O2S — CID 110102220

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O2S/c1-10-14(11(2)19-18-10)15-13(16-5-6-17-15)8-12-4-7-20(9-12)23(3,21)22/h5-6,12H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyOGWNBDPCHDXKRB-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.31
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine (PubChem CID 110102220) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine
PubChem CID110102220
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1CC1CCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O2S/c1-10-14(11(2)19-18-10)15-13(16-5-6-17-15)8-12-4-7-20(9-12)23(3,21)22/h5-6,12H,4,7-9H2,1-3H3,(H,18,19)
InChIKeyOGWNBDPCHDXKRB-UHFFFAOYSA-N
XLogP1.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine (CID 110102220) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine is Cc1n[nH]c(C)c1-c1nccnc1CC1CCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine?
The InChIKey is OGWNBDPCHDXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-14(11(2)19-18-10)15-13(16-5-6-17-15)8-12-4-7-20(9-12)23(3,21)22/h5-6,12H,4,7-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrazine is sourced from PubChem (CID 110102220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).