2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

C13H17N5O2S — CID 110269018

IUPAC2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)11-8-16-17-12(11)10-4-2-7-18(9-10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyQXNMRVWMTUSALP-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.99
Rot. Bonds3

About 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine

2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (PubChem CID 110269018) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
PubChem CID110269018
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
SMILESCS(=O)(=O)c1cn[nH]c1C1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H17N5O2S/c1-21(19,20)11-8-16-17-12(11)10-4-2-7-18(9-10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17)
InChIKeyQXNMRVWMTUSALP-UHFFFAOYSA-N
XLogP0.99
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279
5-methyl-2-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyridine
CID 125026119
(3S)-N,N-dimethyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidine-1-sulfonamide
CID 124956608
[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001888
[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 125001889
(5-methylpyrazin-2-yl)-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 95829703
5-[(3S)-1-ethylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 124641326
4-[[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,3-thiazole
CID 124951938
5-(1-ethylsulfonylpyrrolidin-3-yl)-4-methylsulfonyl-1H-pyrazole
CID 110106115
5-[(3R)-1-ethylsulfonylpyrrolidin-3-yl]-4-methylsulfonyl-1H-pyrazole
CID 125025175
1-[(3S)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-pyridin-3-ylethanone
CID 95829700
2-(2-methylimidazol-1-yl)-1-[(3R)-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 124957434

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The IUPAC name of 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine (CID 110269018) is 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is CS(=O)(=O)c1cn[nH]c1C1CCCN(c2ncccn2)C1.
What is the InChIKey of 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
The InChIKey is QXNMRVWMTUSALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-21(19,20)11-8-16-17-12(11)10-4-2-7-18(9-10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7,9H2,1H3,(H,16,17).
What are the key properties of 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine?
2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine has a molecular weight of 307.38 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 110269018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).