[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone

C17H19N3O2 — CID 129330408

IUPAC[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-11-9-20(15-5-3-2-4-13(11)15)17(21)14-8-18-19-16(14)12-6-7-22-10-12/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyHWYRTEJTQWXDFN-NEPJUHHUSA-N
MW297.36 g/mol
LogP2.68
Rot. Bonds2

About [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone

[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone (PubChem CID 129330408) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
PubChem CID129330408
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
SMILESC[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)c2ccccc21
InChIInChI=1S/C17H19N3O2/c1-11-9-20(15-5-3-2-4-13(11)15)17(21)14-8-18-19-16(14)12-6-7-22-10-12/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19)/t11-,12+/m1/s1
InChIKeyHWYRTEJTQWXDFN-NEPJUHHUSA-N
XLogP2.68
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
N-(2,3-dihydro-1-benzofuran-3-yl)-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 129000622
[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337050
[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
CID 129337051
N-[[2-(hydroxymethyl)phenyl]methyl]-5-(oxolan-3-yl)-1H-pyrazole-4-carboxamide
CID 128970509
N-(dicyclopropylmethyl)-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129471954
N-methyl-5-[(3R)-oxolan-3-yl]-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-carboxamide
CID 129472204
5-[(3S)-oxolan-3-yl]-N-[(1R)-1-thiophen-2-ylethyl]-1H-pyrazole-4-carboxamide
CID 129472917
N-[2-(2-fluorophenyl)ethyl]-5-[(3S)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129338521
[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129333550
N-(furan-2-ylmethyl)-N-methyl-5-[(3R)-oxolan-3-yl]-1H-pyrazole-4-carboxamide
CID 129472353
(3-methyl-2,3-dihydroindol-1-yl)-pyrazin-2-ylmethanone
CID 110751082

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone (CID 129330408) is [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone is C[C@@H]1CN(C(=O)c2cn[nH]c2[C@H]2CCOC2)c2ccccc21.
What is the InChIKey of [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
The InChIKey is HWYRTEJTQWXDFN-NEPJUHHUSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11-9-20(15-5-3-2-4-13(11)15)17(21)14-8-18-19-16(14)12-6-7-22-10-12/h2-5,8,11-12H,6-7,9-10H2,1H3,(H,18,19)/t11-,12+/m1/s1.
What are the key properties of [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone?
[(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone has a molecular weight of 297.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-methyl-2,3-dihydroindol-1-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 129330408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).