4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine

C11H13N5O2S — CID 95846072

IUPAC4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
SMILESCn1cc(S(=O)(=O)N2CC(c3ccncn3)C2)cn1
InChIInChI=1S/C11H13N5O2S/c1-15-7-10(4-14-15)19(17,18)16-5-9(6-16)11-2-3-12-8-13-11/h2-4,7-9H,5-6H2,1H3
InChIKeyGRCJOXOHAIUKLP-UHFFFAOYSA-N
MW279.33 g/mol
LogP-0.00
Rot. Bonds3

About 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine

4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine (PubChem CID 95846072) has the molecular formula C11H13N5O2S and a molecular weight of 279.33 g/mol. Its IUPAC name is 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine.

Molecular Properties

Compound Name4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
PubChem CID95846072
Molecular FormulaC11H13N5O2S
Molecular Weight279.33 g/mol
Exact Mass279.08
IUPAC Name4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine
SMILESCn1cc(S(=O)(=O)N2CC(c3ccncn3)C2)cn1
InChIInChI=1S/C11H13N5O2S/c1-15-7-10(4-14-15)19(17,18)16-5-9(6-16)11-2-3-12-8-13-11/h2-4,7-9H,5-6H2,1H3
InChIKeyGRCJOXOHAIUKLP-UHFFFAOYSA-N
XLogP-0.00
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(azetidin-1-ylsulfonyl)-1-methylpyrazole
CID 141430347
2-(5,6-dimethylpyrimidin-4-yl)-5-(1-methylpyrazol-4-yl)sulfonyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126933437
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
4-(1-thiophen-3-ylsulfonylpiperidin-3-yl)pyrimidine
CID 45220193
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449
5-(1-methylpyrazol-4-yl)sulfonyl-2-(6-pyrazol-1-ylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 126932945
4-[(3S)-1-(3-methoxyphenyl)sulfonylpiperidin-3-yl]pyrimidine
CID 124956425
4-[(3S)-3-(3-fluorophenyl)pyrrolidin-1-yl]sulfonyl-1-methylpyrazole
CID 95310230
2-fluoro-N-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]prop-2-enamide
CID 166417594
N-methyl-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-amine
CID 115300352
3-[(3S)-1-(1-methylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyridine
CID 129381835
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine?
The IUPAC name of 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine (CID 95846072) is 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine.
What is the SMILES notation for 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine?
The canonical SMILES for 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine is Cn1cc(S(=O)(=O)N2CC(c3ccncn3)C2)cn1.
What is the InChIKey of 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine?
The InChIKey is GRCJOXOHAIUKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2S/c1-15-7-10(4-14-15)19(17,18)16-5-9(6-16)11-2-3-12-8-13-11/h2-4,7-9H,5-6H2,1H3.
What are the key properties of 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine?
4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine has a molecular weight of 279.33 g/mol, XLogP of -0.00, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]pyrimidine is sourced from PubChem (CID 95846072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).