5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene

C16H18N10 — CID 155899006

IUPAC5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene
SMILESCn1nccc1-n1c2cnn(C)c2[nH]c2c(cnn2C)c2cnn(C)c21
InChIInChI=1S/C16H18N10/c1-22-13(5-6-17-22)26-12-9-20-24(3)15(12)21-14-10(7-18-23(14)2)11-8-19-25(4)16(11)26/h5-9,21H,1-4H3
InChIKeyWHODERXMBVCVHN-UHFFFAOYSA-N
MW350.39 g/mol
LogP1.32
Rot. Bonds1

About 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene

5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene (PubChem CID 155899006) has the molecular formula C16H18N10 and a molecular weight of 350.39 g/mol. Its IUPAC name is 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene.

Molecular Properties

Compound Name5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene
PubChem CID155899006
Molecular FormulaC16H18N10
Molecular Weight350.39 g/mol
Exact Mass350.17
IUPAC Name5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene
SMILESCn1nccc1-n1c2cnn(C)c2[nH]c2c(cnn2C)c2cnn(C)c21
InChIInChI=1S/C16H18N10/c1-22-13(5-6-17-22)26-12-9-20-24(3)15(12)21-14-10(7-18-23(14)2)11-8-19-25(4)16(11)26/h5-9,21H,1-4H3
InChIKeyWHODERXMBVCVHN-UHFFFAOYSA-N
XLogP1.32
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene with MolForge

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Related Compounds

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1-isopropyl-3-methyl-5-(1-methyl-1H-imidazol-5-yl)-1,4-dihydroimidazo[4,5-c]pyrazole
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5-(1,2-dimethyl-1H-imidazol-5-yl)-3-methyl-1-(3-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
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5-(1-ethyl-5-methyl-1H-pyrazol-4-yl)-1-methyl-1,4-dihydroimidazo[4,5-c]pyrazole
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5-(1-allyl-3-methyl-1H-pyrazol-4-yl)-1-(1-methylbutyl)-1,4-dihydroimidazo[4,5-c]pyrazole
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5-(1-allyl-5-methyl-1H-pyrazol-4-yl)-1-cyclohexyl-1,4-dihydroimidazo[4,5-c]pyrazole
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N-(3-imidazol-1-ylpropyl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-6-amine
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N-(2,5-dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-8-amine
CID 57803218
4,5,9,10,14,15,22,24-octakis(2,4-dimethyl-1H-imidazol-3-ium-3-yl)-2,7,12,17,21,22,23,24-octazapentacyclo[16.2.1.13,6.18,11.113,16]tetracosa-1,3,5,7,9,11(23),12,14,16,18(21),19-undecaene
CID 122699981
1-pyrimidin-4-yl-5H-pyrrolo[3,4-c]pyrazol-3-amine
CID 136365032
ethane;1-methylimidazole;1-methylpyrazole;4-methyl-1H-pyrazole;5-methyl-1H-pyrazole;1-methylpyrrole;1-methyltriazole;1-methyl-1,2,4-triazole;2-methyltriazole;4-methyl-1,2,4-triazole;4-methyl-2H-triazole;5-methyl-1H-1,2,4-triazole
CID 158451993

Frequently Asked Questions

What is the IUPAC name of 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene?
The IUPAC name of 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene (CID 155899006) is 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene.
What is the SMILES notation for 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene?
The canonical SMILES for 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene is Cn1nccc1-n1c2cnn(C)c2[nH]c2c(cnn2C)c2cnn(C)c21.
What is the InChIKey of 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene?
The InChIKey is WHODERXMBVCVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N10/c1-22-13(5-6-17-22)26-12-9-20-24(3)15(12)21-14-10(7-18-23(14)2)11-8-19-25(4)16(11)26/h5-9,21H,1-4H3.
What are the key properties of 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene?
5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene has a molecular weight of 350.39 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5,9,15-trimethyl-13-(2-methylpyrazol-3-yl)-4,5,7,9,10,13,15,16-octazatetracyclo[12.3.0.02,6.08,12]heptadeca-1(14),2(6),3,8(12),10,16-hexaene is sourced from PubChem (CID 155899006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).