4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine

C16H23N5O2S — CID 124964395

IUPAC4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
SMILESCCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C16H23N5O2S/c1-3-21-16(6-7-19-21)15-10-14(17-12-18-15)9-13-5-4-8-20(11-13)24(2,22)23/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyHXHIFICCJWIYNR-CYBMUJFWSA-N
MW349.46 g/mol
LogP1.57
Rot. Bonds5

About 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine

4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine (PubChem CID 124964395) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
PubChem CID124964395
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
SMILESCCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1
InChIInChI=1S/C16H23N5O2S/c1-3-21-16(6-7-19-21)15-10-14(17-12-18-15)9-13-5-4-8-20(11-13)24(2,22)23/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3/t13-/m1/s1
InChIKeyHXHIFICCJWIYNR-CYBMUJFWSA-N
XLogP1.57
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]-6-(2-propylpyrazol-3-yl)pyrimidine
CID 124976471
4-(2-methylpyrazol-3-yl)-6-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyrimidine
CID 110101295
2-(2-ethylpyrazol-3-yl)-4-[[(3S)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125017183
4-(5-methyl-1H-pyrazol-3-yl)-6-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 124995645
4-[(1-methylsulfonylpiperidin-3-yl)methyl]-2-(2-propylpyrazol-3-yl)pyridine
CID 127246039
2-(2-ethylpyrazol-3-yl)-5-[[(3R)-1-methylsulfonylpyrrolidin-3-yl]methyl]pyridine
CID 125022325
2-(2-ethylpyrazol-3-yl)-5-[(1-methylsulfonylpyrrolidin-3-yl)methyl]pyridine
CID 110102065
3-[[6-(2-ethylpyrazol-3-yl)pyrazin-2-yl]methyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 110101583
4-chloro-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine
CID 95804176
2-(2-ethylpyrazol-3-yl)-6-[(3S)-1-methylsulfonylpiperidin-3-yl]pyridine
CID 124988141
4-[(1-methylsulfonylpyrrolidin-3-yl)methyl]-6-(1H-pyrazol-5-yl)pyrimidine
CID 110101300
2-(2-methylpyrazol-3-yl)-5-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 124983638

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine?
The IUPAC name of 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine (CID 124964395) is 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine.
What is the SMILES notation for 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine?
The canonical SMILES for 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine is CCn1nccc1-c1cc(C[C@H]2CCCN(S(C)(=O)=O)C2)ncn1.
What is the InChIKey of 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine?
The InChIKey is HXHIFICCJWIYNR-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-3-21-16(6-7-19-21)15-10-14(17-12-18-15)9-13-5-4-8-20(11-13)24(2,22)23/h6-7,10,12-13H,3-5,8-9,11H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine?
4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine has a molecular weight of 349.46 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpyrazol-3-yl)-6-[[(3R)-1-methylsulfonylpiperidin-3-yl]methyl]pyrimidine is sourced from PubChem (CID 124964395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).