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

C20H18N4O2 — CID 5329613

IUPACN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N(C)C)cc3)n[nH]c1-2
InChIInChI=1S/C20H18N4O2/c1-11(25)21-15-6-4-5-14-16(15)20(26)17-18(22-23-19(14)17)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,21,25)(H,22,23)
InChIKeySBSMFEIYMPZWCJ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.31
Rot. Bonds3

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

N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (PubChem CID 5329613) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
PubChem CID5329613
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide
SMILESCC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N(C)C)cc3)n[nH]c1-2
InChIInChI=1S/C20H18N4O2/c1-11(25)21-15-6-4-5-14-16(15)20(26)17-18(22-23-19(14)17)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,21,25)(H,22,23)
InChIKeySBSMFEIYMPZWCJ-UHFFFAOYSA-N
XLogP3.31
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The IUPAC name of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide (CID 5329613) is N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide.
What is the SMILES notation for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The canonical SMILES for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccc(N(C)C)cc3)n[nH]c1-2.
What is the InChIKey of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
The InChIKey is SBSMFEIYMPZWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11(25)21-15-6-4-5-14-16(15)20(26)17-18(22-23-19(14)17)12-7-9-13(10-8-12)24(2)3/h4-10H,1-3H3,(H,21,25)(H,22,23).
What are the key properties of N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide?
N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide has a molecular weight of 346.39 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(dimethylamino)phenyl]-4-oxo-1H-indeno[2,1-d]pyrazol-5-yl]acetamide is sourced from PubChem (CID 5329613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).