2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide

C18H23N3O2 — CID 111458418

IUPAC2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(C(C)(O)CNC(=O)CC2CCc3ccccc32)cn1
InChIInChI=1S/C18H23N3O2/c1-18(23,15-10-20-21(2)11-15)12-19-17(22)9-14-8-7-13-5-3-4-6-16(13)14/h3-6,10-11,14,23H,7-9,12H2,1-2H3,(H,19,22)
InChIKeyDUSWVFQOTMPDMC-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.86
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide

2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide (PubChem CID 111458418) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
PubChem CID111458418
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide
SMILESCn1cc(C(C)(O)CNC(=O)CC2CCc3ccccc32)cn1
InChIInChI=1S/C18H23N3O2/c1-18(23,15-10-20-21(2)11-15)12-19-17(22)9-14-8-7-13-5-3-4-6-16(13)14/h3-6,10-11,14,23H,7-9,12H2,1-2H3,(H,19,22)
InChIKeyDUSWVFQOTMPDMC-UHFFFAOYSA-N
XLogP1.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide (CID 111458418) is 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide is Cn1cc(C(C)(O)CNC(=O)CC2CCc3ccccc32)cn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide?
The InChIKey is DUSWVFQOTMPDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-18(23,15-10-20-21(2)11-15)12-19-17(22)9-14-8-7-13-5-3-4-6-16(13)14/h3-6,10-11,14,23H,7-9,12H2,1-2H3,(H,19,22).
What are the key properties of 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide?
2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide has a molecular weight of 313.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-hydroxy-2-(1-methylpyrazol-4-yl)propyl]acetamide is sourced from PubChem (CID 111458418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).