4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

C17H24N4O3S — CID 31193670

IUPAC4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2[nH]nc(C3CCCCC3)c2C1
InChIInChI=1S/C17H24N4O3S/c1-11-17(12(2)24-20-11)25(22,23)21-9-8-15-14(10-21)16(19-18-15)13-6-4-3-5-7-13/h13H,3-10H2,1-2H3,(H,18,19)
InChIKeyXYVPPWHPYYLKJH-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.81
Rot. Bonds3

About 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole

4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 31193670) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
PubChem CID31193670
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC Name4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1S(=O)(=O)N1CCc2[nH]nc(C3CCCCC3)c2C1
InChIInChI=1S/C17H24N4O3S/c1-11-17(12(2)24-20-11)25(22,23)21-9-8-15-14(10-21)16(19-18-15)13-6-4-3-5-7-13/h13H,3-10H2,1-2H3,(H,18,19)
InChIKeyXYVPPWHPYYLKJH-UHFFFAOYSA-N
XLogP2.81
TPSA92.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dimethyl-4-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-ylsulfonyl)-1,2-oxazole
CID 53185454
3-cyclobutyl-5-(2,5-dimethylthiophen-3-yl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
CID 31193532
3,5-dimethyl-4-(3-phenylazepan-1-yl)sulfonyl-1,2-oxazole
CID 90608649
4-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 11926625
3,5-dimethyl-4-[3-(1H-pyrazol-5-yl)piperidin-1-yl]sulfonyl-1,2-oxazole
CID 131909529
3,5-dimethyl-4-[(2-piperidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)sulfonyl]-1,2-oxazole
CID 92605838
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]ethanone
CID 63846405
3,5-dimethyl-4-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonyl-1,2-oxazole
CID 63259650
4-cyclopentyl-5-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-2-methyl-1,2,4-triazol-3-one
CID 121117400
3,5-dimethyl-4-(7,8,11-triazatricyclo[6.4.0.02,6]dodeca-1,6-dien-11-ylsulfonyl)-1,2-oxazole
CID 119102648
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3,4-dihydro-1H-isoquinolin-7-amine
CID 28707261
[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]methanol
CID 39373161

Frequently Asked Questions

What is the IUPAC name of 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole (CID 31193670) is 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1S(=O)(=O)N1CCc2[nH]nc(C3CCCCC3)c2C1.
What is the InChIKey of 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is XYVPPWHPYYLKJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-11-17(12(2)24-20-11)25(22,23)21-9-8-15-14(10-21)16(19-18-15)13-6-4-3-5-7-13/h13H,3-10H2,1-2H3,(H,18,19).
What are the key properties of 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole?
4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 364.47 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-cyclohexyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)sulfonyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 31193670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).