2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

C14H19N5O2S — CID 124981007

IUPAC2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-18-12(5-6-17-18)14-13(15-7-8-16-14)11-4-3-9-19(10-11)22(2,20)21/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyMNACRZXGECSDHS-NSHDSACASA-N
MW321.41 g/mol
LogP1.02
Rot. Bonds3

About 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 124981007) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID124981007
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-18-12(5-6-17-18)14-13(15-7-8-16-14)11-4-3-9-19(10-11)22(2,20)21/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyMNACRZXGECSDHS-NSHDSACASA-N
XLogP1.02
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpyrazol-3-yl)-6-[(3R)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124967187
2-(2-methylpyrazol-3-yl)-3-(1-propan-2-ylpiperidin-3-yl)pyrazine
CID 110101538
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102174
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638
2-[(3S)-1-methylsulfonylpiperidin-3-yl]-6-(2-propylpyrazol-3-yl)pyridine
CID 124943820
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
2,2-dimethyl-1-[3-[3-(2-propylpyrazol-3-yl)pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 110101549

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 124981007) is 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is Cn1nccc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is MNACRZXGECSDHS-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-18-12(5-6-17-18)14-13(15-7-8-16-14)11-4-3-9-19(10-11)22(2,20)21/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 124981007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).