N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide

C20H26N4O — CID 166225968

IUPACN-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC3CCCCC32c2ccccc2)n(C)n1
InChIInChI=1S/C20H26N4O/c1-15-12-18(23(2)22-15)21-19(25)14-24-13-17-10-6-7-11-20(17,24)16-8-4-3-5-9-16/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyKIAKUIWQHYVLAM-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.07
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide

N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide (PubChem CID 166225968) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide
PubChem CID166225968
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide
SMILESCc1cc(NC(=O)CN2CC3CCCCC32c2ccccc2)n(C)n1
InChIInChI=1S/C20H26N4O/c1-15-12-18(23(2)22-15)21-19(25)14-24-13-17-10-6-7-11-20(17,24)16-8-4-3-5-9-16/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3,(H,21,25)
InChIKeyKIAKUIWQHYVLAM-UHFFFAOYSA-N
XLogP3.07
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide (CID 166225968) is N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide is Cc1cc(NC(=O)CN2CC3CCCCC32c2ccccc2)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide?
The InChIKey is KIAKUIWQHYVLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-12-18(23(2)22-15)21-19(25)14-24-13-17-10-6-7-11-20(17,24)16-8-4-3-5-9-16/h3-5,8-9,12,17H,6-7,10-11,13-14H2,1-2H3,(H,21,25).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide?
N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-2-(6-phenyl-7-azabicyclo[4.2.0]octan-7-yl)acetamide is sourced from PubChem (CID 166225968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).