3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide

C24H25N7O — CID 118159453

IUPAC3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCc1nnc2ccc3c(cc(-c4ccn(CCC(=O)N(C)C)n4)n3Cc3ccccc3)n12
InChIInChI=1S/C24H25N7O/c1-17-25-26-23-10-9-20-22(31(17)23)15-21(30(20)16-18-7-5-4-6-8-18)19-11-13-29(27-19)14-12-24(32)28(2)3/h4-11,13,15H,12,14,16H2,1-3H3
InChIKeyPMAZGZZRYZBVOP-UHFFFAOYSA-N
MW427.51 g/mol
LogP3.38
Rot. Bonds6

About 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide

3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide (PubChem CID 118159453) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide
PubChem CID118159453
Molecular FormulaC24H25N7O
Molecular Weight427.51 g/mol
Exact Mass427.21
IUPAC Name3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide
SMILESCc1nnc2ccc3c(cc(-c4ccn(CCC(=O)N(C)C)n4)n3Cc3ccccc3)n12
InChIInChI=1S/C24H25N7O/c1-17-25-26-23-10-9-20-22(31(17)23)15-21(30(20)16-18-7-5-4-6-8-18)19-11-13-29(27-19)14-12-24(32)28(2)3/h4-11,13,15H,12,14,16H2,1-3H3
InChIKeyPMAZGZZRYZBVOP-UHFFFAOYSA-N
XLogP3.38
TPSA73.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide (CID 118159453) is 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide is Cc1nnc2ccc3c(cc(-c4ccn(CCC(=O)N(C)C)n4)n3Cc3ccccc3)n12.
What is the InChIKey of 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide?
The InChIKey is PMAZGZZRYZBVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-17-25-26-23-10-9-20-22(31(17)23)15-21(30(20)16-18-7-5-4-6-8-18)19-11-13-29(27-19)14-12-24(32)28(2)3/h4-11,13,15H,12,14,16H2,1-3H3.
What are the key properties of 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide?
3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide has a molecular weight of 427.51 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-benzyl-12-methyl-1,5,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-4-yl)pyrazol-1-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 118159453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).