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

C15H20N4 — CID 14185407

IUPAC1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole
SMILESCCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c21
InChIInChI=1S/C15H20N4/c1-6-18-14-9(3)15-13(8-12(14)10(4)16-18)11(5)17-19(15)7-2/h8H,6-7H2,1-5H3
InChIKeyRLAUKBPMLLPAJY-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.35
Rot. Bonds2

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

1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole (PubChem CID 14185407) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole.

Molecular Properties

Compound Name1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole
PubChem CID14185407
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole
SMILESCCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c21
InChIInChI=1S/C15H20N4/c1-6-18-14-9(3)15-13(8-12(14)10(4)16-18)11(5)17-19(15)7-2/h8H,6-7H2,1-5H3
InChIKeyRLAUKBPMLLPAJY-UHFFFAOYSA-N
XLogP3.35
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole?
The IUPAC name of 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole (CID 14185407) is 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole.
What is the SMILES notation for 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole?
The canonical SMILES for 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole is CCn1nc(C)c2cc3c(C)nn(CC)c3c(C)c21.
What is the InChIKey of 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole?
The InChIKey is RLAUKBPMLLPAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-6-18-14-9(3)15-13(8-12(14)10(4)16-18)11(5)17-19(15)7-2/h8H,6-7H2,1-5H3.
What are the key properties of 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole?
1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole has a molecular weight of 256.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-diethyl-3,5,8-trimethylpyrazolo[4,3-f]indazole is sourced from PubChem (CID 14185407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).