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

C21H19N3O2 — CID 5329607

IUPACN-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C21H19N3O2/c1-3-5-13-8-10-14(11-9-13)19-18-20(24-23-19)15-6-4-7-16(22-12(2)25)17(15)21(18)26/h4,6-11H,3,5H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYOWWWNNHHUERIG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.20
Rot. Bonds4

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

N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329607) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329607
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC NameN-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCCCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1
InChIInChI=1S/C21H19N3O2/c1-3-5-13-8-10-14(11-9-13)19-18-20(24-23-19)15-6-4-7-16(22-12(2)25)17(15)21(18)26/h4,6-11H,3,5H2,1-2H3,(H,22,25)(H,23,24)
InChIKeyYOWWWNNHHUERIG-UHFFFAOYSA-N
XLogP4.20
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-(Aminomethyl)piperidin-1-YL)-N-(3_cyclohexyl-4-oxo-2,4-dihydroindeno[1,2-C]pyrazol-5-YL)acetamide
CID 5288017
Indenopyrazole 5a
CID 5329604
Indenopyrazole 5c
CID 5329606
Indenopyrazole 5j
CID 5329613
Indenopyrazole 5k
CID 5329614
Indenopyrazole 5l
CID 5329615
Indenopyrazole 5m
CID 5329616
Indenopyrazole 8a
CID 5329617
Indenopyrazole 8b
CID 5329618
Indenopyrazole 8c
CID 5329619
Indenopyrazole 8d
CID 5329620
Indenopyrazole 8e
CID 5329621

Frequently Asked Questions

What is the IUPAC name of N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329607) is N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CCCc1ccc(-c2n[nH]c3c2C(=O)c2c(NC(C)=O)cccc2-3)cc1.
What is the InChIKey of N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is YOWWWNNHHUERIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-3-5-13-8-10-14(11-9-13)19-18-20(24-23-19)15-6-4-7-16(22-12(2)25)17(15)21(18)26/h4,6-11H,3,5H2,1-2H3,(H,22,25)(H,23,24).
What are the key properties of N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 4.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-oxo-3-(4-propylphenyl)-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).