2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

C21H20N4O3 — CID 5329739

IUPAC2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN(C)C)cccc2-3)cc1
InChIInChI=1S/C21H20N4O3/c1-25(2)11-16(26)22-15-6-4-5-14-17(15)21(27)18-19(23-24-20(14)18)12-7-9-13(28-3)10-8-12/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyBYPSHOOZDMABOO-UHFFFAOYSA-N
MW376.42 g/mol
LogP2.80
Rot. Bonds5

About 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide

2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329739) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329739
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC Name2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN(C)C)cccc2-3)cc1
InChIInChI=1S/C21H20N4O3/c1-25(2)11-16(26)22-15-6-4-5-14-17(15)21(27)18-19(23-24-20(14)18)12-7-9-13(28-3)10-8-12/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24)
InChIKeyBYPSHOOZDMABOO-UHFFFAOYSA-N
XLogP2.80
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329738
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
1-acetyl-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(2-phenylethylamino)urea
CID 69470511
N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329606
N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
1-[4-oxo-3-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]-3-(4-propan-2-ylpiperazin-1-yl)urea;dihydrochloride
CID 162307756
2-[4-[5-(morpholin-4-ylcarbamoylamino)-4-oxo-1H-indeno[2,1-d]pyrazol-3-yl]phenoxy]-N-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 58741117
1-[3-[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 11285002
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694
1-[3-[4-[6-hydroxy-4-(2-hydroxyethyl)-3-methylidenehexoxy]phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-3-morpholin-4-ylurea
CID 143160799
6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
CID 5329732

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329739) is 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is COc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(=O)CN(C)C)cccc2-3)cc1.
What is the InChIKey of 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is BYPSHOOZDMABOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-25(2)11-16(26)22-15-6-4-5-14-17(15)21(27)18-19(23-24-20(14)18)12-7-9-13(28-3)10-8-12/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24).
What are the key properties of 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).