14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

C19H16N8 — CID 67122004

IUPAC14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESc1ccc(-c2ccnn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)cc1
InChIInChI=1S/C19H16N8/c1-2-5-13(6-3-1)14-8-9-22-27(14)19-20-11-16-17(23-19)25-10-4-7-15(25)18-24-21-12-26(16)18/h1-3,5-6,8-9,11-12,15H,4,7,10H2
InChIKeyOLWUYHFIAJTPCJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.56
Rot. Bonds2

About 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene

14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (PubChem CID 67122004) has the molecular formula C19H16N8 and a molecular weight of 356.39 g/mol. Its IUPAC name is 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.

Molecular Properties

Compound Name14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
PubChem CID67122004
Molecular FormulaC19H16N8
Molecular Weight356.39 g/mol
Exact Mass356.15
IUPAC Name14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
SMILESc1ccc(-c2ccnn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)cc1
InChIInChI=1S/C19H16N8/c1-2-5-13(6-3-1)14-8-9-22-27(14)19-20-11-16-17(23-19)25-10-4-7-15(25)18-24-21-12-26(16)18/h1-3,5-6,8-9,11-12,15H,4,7,10H2
InChIKeyOLWUYHFIAJTPCJ-UHFFFAOYSA-N
XLogP2.56
TPSA77.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene with MolForge

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Related Compounds

14-[2-(3-bromophenyl)imidazol-1-yl]-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
CID 67122057
(4R)-5-(cyclobutadienyl)-4-ethyl-7-(5-phenylpyrazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979719
4-ethyl-7-(2-phenylimidazol-1-yl)-5-pyrrolidin-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979936
(4R)-5-cyclopentyl-4-ethyl-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 67499387
(4R)-4-ethyl-5-(oxolan-3-yl)-7-(2-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979484
(4R)-5-cyclopentyl-4-ethyl-7-(4-phenylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979426
4-ethyl-7-(2-phenyl-4,5-dihydroimidazol-1-yl)-5-propan-2-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979728
7-ethyl-5-methyl-2-(5-phenylpyrazol-1-yl)-8-propan-2-yl-6,7-dihydropteridine-6-carbaldehyde
CID 174674451
5-cyclopentyl-4-ethyl-7-(2-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979490
(4R)-5-cyclopentyl-4-ethyl-7-(4-pyridin-3-ylimidazol-1-yl)-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979263
(4R)-5-cyclopentyl-4-ethyl-7-indol-1-yl-4H-[1,2,4]triazolo[4,3-f]pteridine
CID 66979801
5-phenyl-3-[2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)pyrrolidin-1-yl]-1,2,4-oxadiazole
CID 133481705

Frequently Asked Questions

What is the IUPAC name of 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The IUPAC name of 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene (CID 67122004) is 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene.
What is the SMILES notation for 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The canonical SMILES for 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is c1ccc(-c2ccnn2-c2ncc3c(n2)N2CCCC2c2nncn2-3)cc1.
What is the InChIKey of 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
The InChIKey is OLWUYHFIAJTPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N8/c1-2-5-13(6-3-1)14-8-9-22-27(14)19-20-11-16-17(23-19)25-10-4-7-15(25)18-24-21-12-26(16)18/h1-3,5-6,8-9,11-12,15H,4,7,10H2.
What are the key properties of 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene?
14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene has a molecular weight of 356.39 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 14-(5-phenylpyrazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene is sourced from PubChem (CID 67122004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).