8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

C20H25N3O3S — CID 167929170

IUPAC8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccnn1CC1CC1)N1C2CCC1CC(O)(c1ccccc1)C2
InChIInChI=1S/C20H25N3O3S/c24-20(16-4-2-1-3-5-16)12-17-8-9-18(13-20)23(17)27(25,26)19-10-11-21-22(19)14-15-6-7-15/h1-5,10-11,15,17-18,24H,6-9,12-14H2
InChIKeyODUPYDQEXCANSH-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.50
Rot. Bonds5

About 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol

8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 167929170) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID167929170
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESO=S(=O)(c1ccnn1CC1CC1)N1C2CCC1CC(O)(c1ccccc1)C2
InChIInChI=1S/C20H25N3O3S/c24-20(16-4-2-1-3-5-16)12-17-8-9-18(13-20)23(17)27(25,26)19-10-11-21-22(19)14-15-6-7-15/h1-5,10-11,15,17-18,24H,6-9,12-14H2
InChIKeyODUPYDQEXCANSH-UHFFFAOYSA-N
XLogP2.50
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol with MolForge

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Related Compounds

(1R,5R)-8-(cyclopropylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
CID 98113064
3-phenyl-8-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 23607529
1-(cyclopropylmethyl)-4-phenylpiperidin-4-ol
CID 3064338
2-(cyclopropylmethyl)-N-ethyl-N-(2-methyl-3-pyridinyl)pyrazole-3-sulfonamide
CID 155956923
(1S,5S)-3-phenyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 98053826
(1R,5S)-3-phenyl-8-propyl-8-azabicyclo[3.2.1]octan-3-ol
CID 51893359
[2-(pyridin-4-ylmethyl)phenyl] 2-(cyclopropylmethyl)pyrazole-3-sulfonate
CID 167851515
[4-[2-[(1R,5S)-3-hydroxy-3-phenyl-8-azabicyclo[3.2.1]octan-8-yl]ethyl]cyclohexyl]urea
CID 140540677
2-(cyclobutylmethyl)-N-(3,3-difluoro-2-methylbutan-2-yl)pyrazole-3-sulfonamide
CID 154789030
2-[[[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonylamino]methyl]-3-methylimidazole-4-carboxylic acid
CID 166400012
2-(cyclopropylmethyl)pyridazin-3-one
CID 72682825
9-benzyl-7-(4-pyrazol-1-ylphenyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-ol
CID 171962884

Frequently Asked Questions

What is the IUPAC name of 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol (CID 167929170) is 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is O=S(=O)(c1ccnn1CC1CC1)N1C2CCC1CC(O)(c1ccccc1)C2.
What is the InChIKey of 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is ODUPYDQEXCANSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c24-20(16-4-2-1-3-5-16)12-17-8-9-18(13-20)23(17)27(25,26)19-10-11-21-22(19)14-15-6-7-15/h1-5,10-11,15,17-18,24H,6-9,12-14H2.
What are the key properties of 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol?
8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 387.51 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(cyclopropylmethyl)pyrazol-3-yl]sulfonyl-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 167929170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).