(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

C22H20N2O4 — CID 155546381

IUPAC(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C22H20N2O4/c1-26-15-6-4-13(5-7-15)19(25)9-8-18-17-10-14-11-20(27-2)21(28-3)12-16(14)22(17)24-23-18/h4-9,11-12H,10H2,1-3H3,(H,23,24)/b9-8+
InChIKeyIDXRKHJYYWDRFB-CMDGGOBGSA-N
MW376.41 g/mol
LogP3.90
Rot. Bonds6

About (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one

(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (PubChem CID 155546381) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
PubChem CID155546381
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one
SMILESCOc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)cc1
InChIInChI=1S/C22H20N2O4/c1-26-15-6-4-13(5-7-15)19(25)9-8-18-17-10-14-11-20(27-2)21(28-3)12-16(14)22(17)24-23-18/h4-9,11-12H,10H2,1-3H3,(H,23,24)/b9-8+
InChIKeyIDXRKHJYYWDRFB-CMDGGOBGSA-N
XLogP3.90
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one (CID 155546381) is (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is COc1ccc(C(=O)/C=C/c2[nH]nc3c2Cc2cc(OC)c(OC)cc2-3)cc1.
What is the InChIKey of (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
The InChIKey is IDXRKHJYYWDRFB-CMDGGOBGSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-26-15-6-4-13(5-7-15)19(25)9-8-18-17-10-14-11-20(27-2)21(28-3)12-16(14)22(17)24-23-18/h4-9,11-12H,10H2,1-3H3,(H,23,24)/b9-8+.
What are the key properties of (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one?
(E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one has a molecular weight of 376.41 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazol-3-yl)-1-(4-methoxyphenyl)prop-2-en-1-one is sourced from PubChem (CID 155546381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).