1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole

C13H16N4 — CID 14185406

IUPAC1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole
SMILESCc1nn(C)c2c(C)c3c(cc12)c(C)nn3C
InChIInChI=1S/C13H16N4/c1-7-12-10(8(2)14-16(12)4)6-11-9(3)15-17(5)13(7)11/h6H,1-5H3
InChIKeyMWLVLFZSMMFGPJ-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.39
Rot. Bonds

About 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole

1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole (PubChem CID 14185406) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole.

Molecular Properties

Compound Name1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole
PubChem CID14185406
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole
SMILESCc1nn(C)c2c(C)c3c(cc12)c(C)nn3C
InChIInChI=1S/C13H16N4/c1-7-12-10(8(2)14-16(12)4)6-11-9(3)15-17(5)13(7)11/h6H,1-5H3
InChIKeyMWLVLFZSMMFGPJ-UHFFFAOYSA-N
XLogP2.39
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole?
The IUPAC name of 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole (CID 14185406) is 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole.
What is the SMILES notation for 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole?
The canonical SMILES for 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole is Cc1nn(C)c2c(C)c3c(cc12)c(C)nn3C.
What is the InChIKey of 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole?
The InChIKey is MWLVLFZSMMFGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-7-12-10(8(2)14-16(12)4)6-11-9(3)15-17(5)13(7)11/h6H,1-5H3.
What are the key properties of 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole?
1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole has a molecular weight of 228.30 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5,7,8-pentamethylpyrazolo[4,3-f]indazole is sourced from PubChem (CID 14185406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).