1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine

C12H18N6O2S — CID 84597632

IUPAC1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCn1cc(S(=O)(=O)N2CCCC(Cn3cncn3)C2)cn1
InChIInChI=1S/C12H18N6O2S/c1-16-8-12(5-14-16)21(19,20)18-4-2-3-11(7-18)6-17-10-13-9-15-17/h5,8-11H,2-4,6-7H2,1H3
InChIKeyVAEOHTLABJCECY-UHFFFAOYSA-N
MW310.38 g/mol
LogP0.11
Rot. Bonds4

About 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine

1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine (PubChem CID 84597632) has the molecular formula C12H18N6O2S and a molecular weight of 310.38 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
PubChem CID84597632
Molecular FormulaC12H18N6O2S
Molecular Weight310.38 g/mol
Exact Mass310.12
IUPAC Name1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
SMILESCn1cc(S(=O)(=O)N2CCCC(Cn3cncn3)C2)cn1
InChIInChI=1S/C12H18N6O2S/c1-16-8-12(5-14-16)21(19,20)18-4-2-3-11(7-18)6-17-10-13-9-15-17/h5,8-11H,2-4,6-7H2,1H3
InChIKeyVAEOHTLABJCECY-UHFFFAOYSA-N
XLogP0.11
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine formate
CID 110250603
1-(1-ethylpyrazol-4-yl)sulfonyl-3-(2H-tetrazol-5-yl)piperidine
CID 91909493
1-ethyl-1H-pyrazol-4-yl {3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl} sulfone
CID 91914606
3-{[4-(cyclopropylmethyl)-4H-1,2,4-triazol-3-yl]methyl}-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 91924101
3-[[1-(1-Ethylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]-4-methyl-1,2,4-triazole
CID 124041167
3-(4-Propan-2-yl-1,2,4-triazol-3-yl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidine
CID 139007482
1-(1-ethyl-1H-pyrazole-4-sulfonyl)-3'-(propan-2-yl)-5',6',8',9'-tetrahydrospiro[piperidine-4,7'-[1,2,4]triazolo[4,3-a]azepine]
CID 132336193
1-ethyl-N-(1,2,4-triazol-4-yl)pyrazole-4-sulfonamide
CID 19683374
1-(1-Methylpyrazol-4-yl)sulfonyl-3-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 45822330
[5-({1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]methanol
CID 50971004
1-[(1-Methylpyrazol-4-yl)methyl]-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 53593371
N,N-dimethyl-1-(4-methyl-5-{1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}-4H-1,2,4-triazol-3-yl)methanamine
CID 70728274

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine (CID 84597632) is 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine is Cn1cc(S(=O)(=O)N2CCCC(Cn3cncn3)C2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
The InChIKey is VAEOHTLABJCECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O2S/c1-16-8-12(5-14-16)21(19,20)18-4-2-3-11(7-18)6-17-10-13-9-15-17/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine?
1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine has a molecular weight of 310.38 g/mol, XLogP of 0.11, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine is sourced from PubChem (CID 84597632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).