2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione

C16H24N4O2 — CID 118311267

IUPAC2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCC(C)Cn1[nH]c2c(c1=O)Cc1[nH]n(CC(C)C)c(=O)c1C2
InChIInChI=1S/C16H24N4O2/c1-9(2)7-19-15(21)11-5-14-12(6-13(11)17-19)16(22)20(18-14)8-10(3)4/h9-10,17-18H,5-8H2,1-4H3
InChIKeyNZRSKGSESYWODN-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.47
Rot. Bonds4

About 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione

2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (PubChem CID 118311267) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.

Molecular Properties

Compound Name2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
PubChem CID118311267
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione
SMILESCC(C)Cn1[nH]c2c(c1=O)Cc1[nH]n(CC(C)C)c(=O)c1C2
InChIInChI=1S/C16H24N4O2/c1-9(2)7-19-15(21)11-5-14-12(6-13(11)17-19)16(22)20(18-14)8-10(3)4/h9-10,17-18H,5-8H2,1-4H3
InChIKeyNZRSKGSESYWODN-UHFFFAOYSA-N
XLogP1.47
TPSA75.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H-pyrazolo[3,4-f]indazole-3,7-dione
CID 12472193
2-hexyl-4-[(2-hexyl-5-methyl-3-oxo-1H-pyrazol-4-yl)methyl]-5-methyl-1H-pyrazol-3-one
CID 15358350
5-methyl-2,4-di(propan-2-yl)-1H-pyrazol-3-one
CID 58567617
2-butyl-5-ethyl-4-methyl-1H-pyrazol-3-one
CID 66020264
4-ethyl-5-methyl-2-(2-methylpropyl)-1H-pyrazol-3-one
CID 66020655
5-methyl-2-(2-methylpropyl)-4-propan-2-yl-1H-pyrazol-3-one
CID 66021067
5-ethyl-4-methyl-2-(2-methylpropyl)-1H-pyrazol-3-one
CID 66021070
4-ethyl-5-methyl-2-propan-2-yl-1H-pyrazol-3-one
CID 66021283
2,4-diethyl-5-methyl-1H-pyrazol-3-one
CID 66022115
2-ethyl-5-methyl-4-propan-2-yl-1H-pyrazol-3-one
CID 66022323
4-ethyl-5-methyl-2-propyl-1H-pyrazol-3-one
CID 66022936
5-methyl-4-propan-2-yl-2-propyl-1H-pyrazol-3-one
CID 66023142

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The IUPAC name of 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione (CID 118311267) is 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione.
What is the SMILES notation for 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The canonical SMILES for 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is CC(C)Cn1[nH]c2c(c1=O)Cc1[nH]n(CC(C)C)c(=O)c1C2.
What is the InChIKey of 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
The InChIKey is NZRSKGSESYWODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-9(2)7-19-15(21)11-5-14-12(6-13(11)17-19)16(22)20(18-14)8-10(3)4/h9-10,17-18H,5-8H2,1-4H3.
What are the key properties of 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione?
2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione has a molecular weight of 304.39 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2-methylpropyl)-1,4,5,8-tetrahydropyrazolo[3,4-f]indazole-3,7-dione is sourced from PubChem (CID 118311267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).