2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C20H26N4O — CID 119744704

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H26N4O/c25-20(12-17-10-18-5-6-19(11-17)23-18)21-13-15-3-1-4-16(9-15)14-24-8-2-7-22-24/h1-4,7-9,17-19,23H,5-6,10-14H2,(H,21,25)
InChIKeyYGYWLAKVKLELFC-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.47
Rot. Bonds6

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 119744704) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID119744704
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H26N4O/c25-20(12-17-10-18-5-6-19(11-17)23-18)21-13-15-3-1-4-16(9-15)14-24-8-2-7-22-24/h1-4,7-9,17-19,23H,5-6,10-14H2,(H,21,25)
InChIKeyYGYWLAKVKLELFC-UHFFFAOYSA-N
XLogP2.47
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 119744704) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(CC1CC2CCC(C1)N2)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is YGYWLAKVKLELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c25-20(12-17-10-18-5-6-19(11-17)23-18)21-13-15-3-1-4-16(9-15)14-24-8-2-7-22-24/h1-4,7-9,17-19,23H,5-6,10-14H2,(H,21,25).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 338.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 119744704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).