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

C15H21N5O2S — CID 125001800

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O2S/c1-10-13(11(2)19-18-10)15-14(16-6-7-17-15)12-5-4-8-20(9-12)23(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeySFYCJIBDNIODHY-LBPRGKRZSA-N
MW335.43 g/mol
LogP1.62
Rot. Bonds3

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

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (PubChem CID 125001800) 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-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
PubChem CID125001800
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
SMILESCc1n[nH]c(C)c1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1
InChIInChI=1S/C15H21N5O2S/c1-10-13(11(2)19-18-10)15-14(16-6-7-17-15)12-5-4-8-20(9-12)23(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H,18,19)/t12-/m0/s1
InChIKeySFYCJIBDNIODHY-LBPRGKRZSA-N
XLogP1.62
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-(1-methylsulfonylpiperidin-4-yl)pyrazine
CID 110102156
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-(5-methyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 125024996
2-(2-methylpyrazol-3-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine
CID 124981007
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
2-bromo-5-(1-methylsulfonylpiperidin-3-yl)pyrazine
CID 110082276
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
5-methyl-2-[(3R)-1-methylsulfonylpiperidin-3-yl]-1,3-thiazole
CID 124966701
2-(3,5-dimethyl-1H-pyrazol-4-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124972197
2-[5-[(3R)-1-methylsulfonylpiperidin-3-yl]pyrazin-2-yl]-1,3-oxazole
CID 124976826

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine (CID 125001800) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is Cc1n[nH]c(C)c1-c1nccnc1[C@H]1CCCN(S(C)(=O)=O)C1.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
The InChIKey is SFYCJIBDNIODHY-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-10-13(11(2)19-18-10)15-14(16-6-7-17-15)12-5-4-8-20(9-12)23(3,21)22/h6-7,12H,4-5,8-9H2,1-3H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine has a molecular weight of 335.43 g/mol, XLogP of 1.62, 3 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-[(3S)-1-methylsulfonylpiperidin-3-yl]pyrazine is sourced from PubChem (CID 125001800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).