1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide

C24H26N4O — CID 136553019

IUPAC1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
SMILESCC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2
InChIInChI=1S/C24H26N4O/c1-24-13-19(14-24)17-28(24)23(29)25-15-21-5-2-3-6-22(21)20-9-7-18(8-10-20)16-27-12-4-11-26-27/h2-12,19H,13-17H2,1H3,(H,25,29)
InChIKeyGKWFLKZYXIKUQH-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.29
Rot. Bonds5

About 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide

1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide (PubChem CID 136553019) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
PubChem CID136553019
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC Name1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide
SMILESCC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2
InChIInChI=1S/C24H26N4O/c1-24-13-19(14-24)17-28(24)23(29)25-15-21-5-2-3-6-22(21)20-9-7-18(8-10-20)16-27-12-4-11-26-27/h2-12,19H,13-17H2,1H3,(H,25,29)
InChIKeyGKWFLKZYXIKUQH-UHFFFAOYSA-N
XLogP4.29
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The IUPAC name of 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide (CID 136553019) is 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The canonical SMILES for 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide is CC12CC(CN1C(=O)NCc1ccccc1-c1ccc(Cn3cccn3)cc1)C2.
What is the InChIKey of 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
The InChIKey is GKWFLKZYXIKUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-24-13-19(14-24)17-28(24)23(29)25-15-21-5-2-3-6-22(21)20-9-7-18(8-10-20)16-27-12-4-11-26-27/h2-12,19H,13-17H2,1H3,(H,25,29).
What are the key properties of 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide?
1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide has a molecular weight of 386.50 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-[4-(pyrazol-1-ylmethyl)phenyl]phenyl]methyl]-2-azabicyclo[2.1.1]hexane-2-carboxamide is sourced from PubChem (CID 136553019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).