2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one

C14H22N2O — CID 123669873

IUPAC2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one
SMILESCC(C)C(=O)C1CCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C14H22N2O/c1-8(2)13-11-7-10(14(17)9(3)4)5-6-12(11)15-16-13/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyDGLDADPZDSZULL-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.86
Rot. Bonds3

About 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one

2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one (PubChem CID 123669873) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one
PubChem CID123669873
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one
SMILESCC(C)C(=O)C1CCc2[nH]nc(C(C)C)c2C1
InChIInChI=1S/C14H22N2O/c1-8(2)13-11-7-10(14(17)9(3)4)5-6-12(11)15-16-13/h8-10H,5-7H2,1-4H3,(H,15,16)
InChIKeyDGLDADPZDSZULL-UHFFFAOYSA-N
XLogP2.86
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one (CID 123669873) is 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one is CC(C)C(=O)C1CCc2[nH]nc(C(C)C)c2C1.
What is the InChIKey of 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one?
The InChIKey is DGLDADPZDSZULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-8(2)13-11-7-10(14(17)9(3)4)5-6-12(11)15-16-13/h8-10H,5-7H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one?
2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one has a molecular weight of 234.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-propan-2-yl-4,5,6,7-tetrahydro-1H-indazol-5-yl)propan-1-one is sourced from PubChem (CID 123669873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).