2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine

C14H12N4O2S — CID 2806210

IUPAC2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine
SMILESCc1nccnc1-c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c1-11-14(16-10-9-15-11)13-7-8-17-18(13)21(19,20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyFSXCWLCMOHNQDE-UHFFFAOYSA-N
MW300.34 g/mol
LogP1.89
Rot. Bonds3

About 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine

2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine (PubChem CID 2806210) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine.

Molecular Properties

Compound Name2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine
PubChem CID2806210
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC Name2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine
SMILESCc1nccnc1-c1ccnn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H12N4O2S/c1-11-14(16-10-9-15-11)13-7-8-17-18(13)21(19,20)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyFSXCWLCMOHNQDE-UHFFFAOYSA-N
XLogP1.89
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(Phenylsulfonyl)-4-azaindole
CID 45270766
N-[2-chloro-5-(1-methylpyrazol-4-yl)-3-pyridinyl]benzenesulfonamide
CID 87563413
4-(3,5-Diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73349517
4-(3,5-Dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73351066
4-(3,4,5-Trimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355560
4-(4-Butyl-3,5-dimethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 73355561
4-(1-methyl-3-(pyridin-4-yl)-1H-pyrazol-4-yl)benzenesulfonamide
CID 19355820
1-(1,3-Dimethylpyrazol-4-yl)sulfonyl-4-phenylpiperazine
CID 6464253
1-ethyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6466340
4-{[4-(4-Fluorophenyl)piperazinyl]sulfonyl}-1,3-dimethylpyrazole
CID 6469600
1-ethyl-5-methyl-N-(pyridin-3-yl)-1H-pyrazole-4-sulfonamide
CID 6470411
US9156811, Ddd71294
CID 57391848

Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine?
The IUPAC name of 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine (CID 2806210) is 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine.
What is the SMILES notation for 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine?
The canonical SMILES for 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine is Cc1nccnc1-c1ccnn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine?
The InChIKey is FSXCWLCMOHNQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-11-14(16-10-9-15-11)13-7-8-17-18(13)21(19,20)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine?
2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine has a molecular weight of 300.34 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzenesulfonyl)pyrazol-3-yl]-3-methylpyrazine is sourced from PubChem (CID 2806210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).