2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

C17H20N2O2 — CID 114640841

IUPAC2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-11(2)19-16(15(21-3)10-18-19)17(20)14-9-8-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyAGZUKCUILARFLM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.39
Rot. Bonds4

About 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone

2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (PubChem CID 114640841) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
PubChem CID114640841
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
SMILESCOc1cnn(C(C)C)c1C(=O)C1CCc2ccccc21
InChIInChI=1S/C17H20N2O2/c1-11(2)19-16(15(21-3)10-18-19)17(20)14-9-8-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3
InChIKeyAGZUKCUILARFLM-UHFFFAOYSA-N
XLogP3.39
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-3-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114642156
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 114640104
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640839
(3,3-difluorocyclopentyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114215584
2,3-dihydro-1H-inden-1-yl-(4-methoxyphenyl)methanone
CID 12045348
(2-iodophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810541
2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-phenylethanone
CID 114642875
(4-chloro-1-propylpyrazol-5-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114640840
(2,3-dimethylphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 115810444
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(2-methylsulfanylphenyl)methanone
CID 115810480
(3-chloro-2-fluorophenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone
CID 114640325
2-(2,6-dichlorophenyl)-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanone
CID 114639636

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone (CID 114640841) is 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is COc1cnn(C(C)C)c1C(=O)C1CCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
The InChIKey is AGZUKCUILARFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-11(2)19-16(15(21-3)10-18-19)17(20)14-9-8-12-6-4-5-7-13(12)14/h4-7,10-11,14H,8-9H2,1-3H3.
What are the key properties of 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone?
2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone has a molecular weight of 284.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-1-yl-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanone is sourced from PubChem (CID 114640841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).