3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

C17H26N6O2S — CID 91924101

IUPAC3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(Cc3nncn3CC3CC3)C2)cn1
InChIInChI=1S/C17H26N6O2S/c1-2-22-12-16(9-19-22)26(24,25)23-7-3-4-15(11-23)8-17-20-18-13-21(17)10-14-5-6-14/h9,12-15H,2-8,10-11H2,1H3
InChIKeyODYNJNXHWFQZGM-UHFFFAOYSA-N
MW378.50 g/mol
LogP1.55
Rot. Bonds7

About 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine

3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (PubChem CID 91924101) has the molecular formula C17H26N6O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.

Molecular Properties

Compound Name3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
PubChem CID91924101
Molecular FormulaC17H26N6O2S
Molecular Weight378.50 g/mol
Exact Mass378.18
IUPAC Name3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine
SMILESCCn1cc(S(=O)(=O)N2CCCC(Cc3nncn3CC3CC3)C2)cn1
InChIInChI=1S/C17H26N6O2S/c1-2-22-12-16(9-19-22)26(24,25)23-7-3-4-15(11-23)8-17-20-18-13-21(17)10-14-5-6-14/h9,12-15H,2-8,10-11H2,1H3
InChIKeyODYNJNXHWFQZGM-UHFFFAOYSA-N
XLogP1.55
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[4-cyclopropyl-5-(1H-pyrazol-1-ylmethyl)-4H-1,2,4-triazol-3-yl]-1-(ethylsulfonyl)piperidine
CID 72908378
1-(1-Methylpyrazol-4-yl)sulfonyl-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 84597632
3-[(2-methyl-1H-imidazol-1-yl)methyl]-1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine formate
CID 110250603
N,N-dimethyl-2-(2-{1-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-4-piperidinyl}-1H-imidazol-1-yl)ethanamine
CID 72849584
2-(5-cyclopropyl-4H-1,2,4-triazol-3-yl)-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 91913573
1-ethyl-1H-pyrazol-4-yl {3-[(4-ethyl-4H-1,2,4-triazol-3-yl)methyl]-1-pyrrolidinyl} sulfone
CID 91914606
1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]-4-[(5-methyl-1-propyl-1H-imidazol-2-yl)methyl]piperidine
CID 91923935
3-({1-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]pyrrolidin-3-YL}methyl)-4-methyl-4H-1,2,4-triazole
CID 124041167
3-{[1-(cyclopropylmethyl)-5-methyl-1H-imidazol-2-yl]methyl}-1-[(1-ethyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 124052983
3-[(2S)-6-(1-ethylpyrazol-4-yl)sulfonyl-6-azaspiro[2.5]octan-2-yl]-5-methyl-1,2,4-oxadiazole
CID 164635181
3-(4-Propan-2-yl-1,2,4-triazol-3-yl)-1-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]sulfonylpiperidine
CID 139007482
1-(4-{7-[(1-Ethyl-1H-pyrazol-4-YL)sulfonyl]-5H,6H,7H,8H-[1,2,4]triazolo[4,3-A]pyrazin-3-YL}piperidin-1-YL)-3-methylbutan-1-one
CID 132331840

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The IUPAC name of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine (CID 91924101) is 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine.
What is the SMILES notation for 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The canonical SMILES for 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is CCn1cc(S(=O)(=O)N2CCCC(Cc3nncn3CC3CC3)C2)cn1.
What is the InChIKey of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
The InChIKey is ODYNJNXHWFQZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2S/c1-2-22-12-16(9-19-22)26(24,25)23-7-3-4-15(11-23)8-17-20-18-13-21(17)10-14-5-6-14/h9,12-15H,2-8,10-11H2,1H3.
What are the key properties of 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine?
3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine has a molecular weight of 378.50 g/mol, XLogP of 1.55, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]methyl]-1-(1-ethylpyrazol-4-yl)sulfonylpiperidine is sourced from PubChem (CID 91924101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).