9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

C23H24N6O — CID 11153831

IUPAC9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3
InChIKeyJOHKRJNYKDHTID-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.40
Rot. Bonds4

About 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene

9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (PubChem CID 11153831) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.

Molecular Properties

Compound Name9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
PubChem CID11153831
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene
SMILESCc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1
InChIInChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3
InChIKeyJOHKRJNYKDHTID-UHFFFAOYSA-N
XLogP4.40
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The IUPAC name of 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene (CID 11153831) is 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene.
What is the SMILES notation for 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The canonical SMILES for 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is Cc1cc(C)n(COc2nn3c(-c4ccccc4)nnc3c3c2C2CCC3CC2)n1.
What is the InChIKey of 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
The InChIKey is JOHKRJNYKDHTID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-14-12-15(2)28(26-14)13-30-23-20-17-10-8-16(9-11-17)19(20)22-25-24-21(29(22)27-23)18-6-4-3-5-7-18/h3-7,12,16-17H,8-11,13H2,1-2H3.
What are the key properties of 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene?
9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene has a molecular weight of 400.49 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3,5-dimethylpyrazol-1-yl)methoxy]-6-phenyl-4,5,7,8-tetrazatetracyclo[9.2.2.02,10.03,7]pentadeca-2(10),3,5,8-tetraene is sourced from PubChem (CID 11153831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).