6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one

C17H13N3O2 — CID 5329732

IUPAC6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2cc(N)ccc2-3)cc1
InChIInChI=1S/C17H13N3O2/c1-22-11-5-2-9(3-6-11)15-14-16(20-19-15)12-7-4-10(18)8-13(12)17(14)21/h2-8H,18H2,1H3,(H,19,20)
InChIKeyYUKUITXJHWEKGD-UHFFFAOYSA-N
MW291.31 g/mol
LogP2.88
Rot. Bonds2

About 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one

6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one (PubChem CID 5329732) has the molecular formula C17H13N3O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one.

Molecular Properties

Compound Name6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
PubChem CID5329732
Molecular FormulaC17H13N3O2
Molecular Weight291.31 g/mol
Exact Mass291.10
IUPAC Name6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one
SMILESCOc1ccc(-c2n[nH]c3c2C(=O)c2cc(N)ccc2-3)cc1
InChIInChI=1S/C17H13N3O2/c1-22-11-5-2-9(3-6-11)15-14-16(20-19-15)12-7-4-10(18)8-13(12)17(14)21/h2-8H,18H2,1H3,(H,19,20)
InChIKeyYUKUITXJHWEKGD-UHFFFAOYSA-N
XLogP2.88
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The IUPAC name of 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one (CID 5329732) is 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one.
What is the SMILES notation for 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The canonical SMILES for 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one is COc1ccc(-c2n[nH]c3c2C(=O)c2cc(N)ccc2-3)cc1.
What is the InChIKey of 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
The InChIKey is YUKUITXJHWEKGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O2/c1-22-11-5-2-9(3-6-11)15-14-16(20-19-15)12-7-4-10(18)8-13(12)17(14)21/h2-8H,18H2,1H3,(H,19,20).
What are the key properties of 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one?
6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one has a molecular weight of 291.31 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(4-methoxyphenyl)-1H-indeno[2,1-d]pyrazol-4-one is sourced from PubChem (CID 5329732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).