2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

C14H19N5O2S — CID 125024996

IUPAC2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1[nH]ncc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-10-12(8-17-18-10)14-13(15-5-6-16-14)11-4-3-7-19(9-11)22(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyZJNGALYCFFQXCO-NSHDSACASA-N
MW321.41 g/mol
LogP1.31
Rot. Bonds3

About 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine

2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 125024996) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID125024996
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1[nH]ncc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C14H19N5O2S/c1-10-12(8-17-18-10)14-13(15-5-6-16-14)11-4-3-7-19(9-11)22(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)/t11-/m0/s1
InChIKeyZJNGALYCFFQXCO-NSHDSACASA-N
XLogP1.31
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125001800
2-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 95817357
2-(1-methylsulfonylpiperidin-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)pyrazine
CID 110102174
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
2-[(3R)-1-methylsulfonylpiperidin-3-yl]-3-(1-propylpyrazol-4-yl)pyrazine
CID 124972911
2-(4-fluorophenoxy)-3-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110256284
[(3S)-3-[3-(4-fluorophenyl)pyrazin-2-yl]piperidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 95819245
4-(1-methylsulfonylpiperidin-3-yl)-5-pyridin-4-ylpyrimidine
CID 126468341
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
4-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrimidine
CID 95808838

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 125024996) is 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is Cc1[nH]ncc1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is ZJNGALYCFFQXCO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-10-12(8-17-18-10)14-13(15-5-6-16-14)11-4-3-7-19(9-11)22(2,20)21/h5-6,8,11H,3-4,7,9H2,1-2H3,(H,17,18)/t11-/m0/s1.
What are the key properties of 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 321.41 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 125024996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).