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

C20H17N3O2 — CID 5329606

IUPACN-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXVCUYEBIKZDNMH-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.81
Rot. Bonds3

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

N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329606) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329606
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC NameN-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyXVCUYEBIKZDNMH-UHFFFAOYSA-N
XLogP3.81
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-oxo-3-pyridin-4-yl-1H-indeno[2,1-d]pyrazol-5-yl)acetamide
CID 5329642
2-amino-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329738
2-(dimethylamino)-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 5329739
1-acetyl-3-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]-1-(2-phenylethylamino)urea
CID 69470511
2-chloro-N-[3-(4-morpholin-4-ylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 11144324
2-[4-(dimethylamino)piperazin-1-yl]-N-[3-(4-methoxyphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
CID 139912377
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
N-(3-methyl-4-oxo-2H-indeno[1,2-c]pyrazol-8-yl)acetamide
CID 11096756
1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-[4-oxo-3-(4-piperazin-1-ylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 21350031
1-morpholin-4-yl-3-[4-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 11329770
1-(dimethylamino)-3-[3-(2,5-dimethylthiophen-3-yl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]urea
CID 5330030
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329606) is N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1.
What is the InChIKey of N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is XVCUYEBIKZDNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-3-12-7-9-13(10-8-12)18-17-19(23-22-18)14-5-4-6-15(21-11(2)24)16(14)20(17)25/h4-10H,3H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 331.38 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylphenyl)-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).