8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

C17H21N3O — CID 63769594

IUPAC8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c21-17-10-15-6-7-16(11-17)19(15)12-13-8-9-20(18-13)14-4-2-1-3-5-14/h1-5,8-9,15-17,21H,6-7,10-12H2
InChIKeyHWMWELVPTQXVON-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.36
Rot. Bonds3

About 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol

8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 63769594) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID63769594
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2Cc1ccn(-c2ccccc2)n1
InChIInChI=1S/C17H21N3O/c21-17-10-15-6-7-16(11-17)19(15)12-13-8-9-20(18-13)14-4-2-1-3-5-14/h1-5,8-9,15-17,21H,6-7,10-12H2
InChIKeyHWMWELVPTQXVON-UHFFFAOYSA-N
XLogP2.36
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol (CID 63769594) is 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2Cc1ccn(-c2ccccc2)n1.
What is the InChIKey of 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HWMWELVPTQXVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c21-17-10-15-6-7-16(11-17)19(15)12-13-8-9-20(18-13)14-4-2-1-3-5-14/h1-5,8-9,15-17,21H,6-7,10-12H2.
What are the key properties of 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol?
8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 283.38 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-phenylpyrazol-3-yl)methyl]-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 63769594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).