[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

C20H25N3O — CID 95606144

IUPAC[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H25N3O/c1-14-12-15(2)23(21-14)13-17-7-5-11-22(17)20(24)19-10-9-16-6-3-4-8-18(16)19/h3-4,6,8,12,17,19H,5,7,9-11,13H2,1-2H3/t17-,19+/m0/s1
InChIKeyYIDZHHXHRRECPH-PKOBYXMFSA-N
MW323.44 g/mol
LogP3.22
Rot. Bonds3

About [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone

[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 95606144) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID95606144
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)n1
InChIInChI=1S/C20H25N3O/c1-14-12-15(2)23(21-14)13-17-7-5-11-22(17)20(24)19-10-9-16-6-3-4-8-18(16)19/h3-4,6,8,12,17,19H,5,7,9-11,13H2,1-2H3/t17-,19+/m0/s1
InChIKeyYIDZHHXHRRECPH-PKOBYXMFSA-N
XLogP3.22
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S)-2,3-dihydro-1-benzofuran-2-yl]-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605911
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351274
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95323921
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-isoquinolin-1-ylmethanone
CID 95350753
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanone
CID 95350973
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(2-methyl-1H-indol-3-yl)methanone
CID 95605939
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1-phenylpyrazol-3-yl)methanone
CID 95606018
1-benzofuran-2-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95605865
3H-benzimidazol-5-yl-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607686
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
1-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 95605886

Frequently Asked Questions

What is the IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone (CID 95606144) is [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)n1.
What is the InChIKey of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is YIDZHHXHRRECPH-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-12-15(2)23(21-14)13-17-7-5-11-22(17)20(24)19-10-9-16-6-3-4-8-18(16)19/h3-4,6,8,12,17,19H,5,7,9-11,13H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone?
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 323.44 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95606144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).