7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole

C21H24N4 — CID 123585477

IUPAC7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2c(CC(C)c3[nH]nc4ccccc34)cccc12
InChIInChI=1S/C21H24N4/c1-13(2)19-17-10-7-8-15(21(17)25(4)24-19)12-14(3)20-16-9-5-6-11-18(16)22-23-20/h5-11,13-14H,12H2,1-4H3,(H,22,23)
InChIKeyPJPBZPOILTUKTA-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.92
Rot. Bonds4

About 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole

7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole (PubChem CID 123585477) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole.

Molecular Properties

Compound Name7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole
PubChem CID123585477
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole
SMILESCC(C)c1nn(C)c2c(CC(C)c3[nH]nc4ccccc34)cccc12
InChIInChI=1S/C21H24N4/c1-13(2)19-17-10-7-8-15(21(17)25(4)24-19)12-14(3)20-16-9-5-6-11-18(16)22-23-20/h5-11,13-14H,12H2,1-4H3,(H,22,23)
InChIKeyPJPBZPOILTUKTA-UHFFFAOYSA-N
XLogP4.92
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole?
The IUPAC name of 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole (CID 123585477) is 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole.
What is the SMILES notation for 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole?
The canonical SMILES for 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole is CC(C)c1nn(C)c2c(CC(C)c3[nH]nc4ccccc34)cccc12.
What is the InChIKey of 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole?
The InChIKey is PJPBZPOILTUKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-13(2)19-17-10-7-8-15(21(17)25(4)24-19)12-14(3)20-16-9-5-6-11-18(16)22-23-20/h5-11,13-14H,12H2,1-4H3,(H,22,23).
What are the key properties of 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole?
7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole has a molecular weight of 332.45 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2H-indazol-3-yl)propyl]-1-methyl-3-propan-2-ylindazole is sourced from PubChem (CID 123585477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).