2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

C22H23N3O2 — CID 78767051

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C22H23N3O2/c1-15-22(16(2)25(24-15)19-9-4-3-5-10-19)23-21(26)14-27-20-12-11-17-7-6-8-18(17)13-20/h3-5,9-13H,6-8,14H2,1-2H3,(H,23,26)
InChIKeySTEHBFCRLYDZAE-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.00
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide

2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (PubChem CID 78767051) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
PubChem CID78767051
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
SMILESCc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2c(c1)CCC2
InChIInChI=1S/C22H23N3O2/c1-15-22(16(2)25(24-15)19-9-4-3-5-10-19)23-21(26)14-27-20-12-11-17-7-6-8-18(17)13-20/h3-5,9-13H,6-8,14H2,1-2H3,(H,23,26)
InChIKeySTEHBFCRLYDZAE-UHFFFAOYSA-N
XLogP4.00
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 24543226
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
CID 42989450
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 38928933
N-(2,6-difluorophenyl)-2-(2,3-dihydro-1H-inden-5-yloxy)acetamide
CID 51139353
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(2-ethyl-6-methylphenyl)acetamide
CID 2080510
2-(2,3-dihydro-1H-inden-5-yloxy)-N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]acetamide
CID 55508067
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908
N-(2,3-dihydro-1H-inden-5-yl)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)propanamide
CID 9141969
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[[(5S)-5-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetamide
CID 41320127
N-[3-[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]-2-methylphenyl]benzamide
CID 55899662
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 5-chloro-3-methyl-1-phenylpyrazole-4-carboxylate
CID 8575963
N'-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]-2-methylbenzohydrazide
CID 9220922

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide (CID 78767051) is 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is Cc1nn(-c2ccccc2)c(C)c1NC(=O)COc1ccc2c(c1)CCC2.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
The InChIKey is STEHBFCRLYDZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-15-22(16(2)25(24-15)19-9-4-3-5-10-19)23-21(26)14-27-20-12-11-17-7-6-8-18(17)13-20/h3-5,9-13H,6-8,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide?
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide has a molecular weight of 361.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 78767051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).