5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile

C17H16N4 — CID 11425869

IUPAC5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]nc(C#N)c3c2)cc1
InChIInChI=1S/C17H16N4/c1-17(2,19)13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(10-18)21-20-15/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyKDIGOPQTKOLYPS-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.30
Rot. Bonds2

About 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile

5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile (PubChem CID 11425869) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile.

Molecular Properties

Compound Name5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile
PubChem CID11425869
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile
SMILESCC(C)(N)c1ccc(-c2ccc3[nH]nc(C#N)c3c2)cc1
InChIInChI=1S/C17H16N4/c1-17(2,19)13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(10-18)21-20-15/h3-9H,19H2,1-2H3,(H,20,21)
InChIKeyKDIGOPQTKOLYPS-UHFFFAOYSA-N
XLogP3.30
TPSA78.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile?
The IUPAC name of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile (CID 11425869) is 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile.
What is the SMILES notation for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile?
The canonical SMILES for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile is CC(C)(N)c1ccc(-c2ccc3[nH]nc(C#N)c3c2)cc1.
What is the InChIKey of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile?
The InChIKey is KDIGOPQTKOLYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c1-17(2,19)13-6-3-11(4-7-13)12-5-8-15-14(9-12)16(10-18)21-20-15/h3-9H,19H2,1-2H3,(H,20,21).
What are the key properties of 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile?
5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile has a molecular weight of 276.34 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminopropan-2-yl)phenyl]-1H-indazole-3-carbonitrile is sourced from PubChem (CID 11425869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).