(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

C20H18N2O4 — CID 7306091

IUPAC(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC)c2)CC(=O)O3)cc1
InChIInChI=1S/C20H18N2O4/c1-24-14-8-6-12(7-9-14)19-18-16(11-17(23)26-20(18)22-21-19)13-4-3-5-15(10-13)25-2/h3-10,16H,11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyYFGZHJYFNYIENY-MRXNPFEDSA-N
MW350.37 g/mol
LogP3.53
Rot. Bonds4

About (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one

(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (PubChem CID 7306091) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.

Molecular Properties

Compound Name(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
PubChem CID7306091
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one
SMILESCOc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC)c2)CC(=O)O3)cc1
InChIInChI=1S/C20H18N2O4/c1-24-14-8-6-12(7-9-14)19-18-16(11-17(23)26-20(18)22-21-19)13-4-3-5-15(10-13)25-2/h3-10,16H,11H2,1-2H3,(H,21,22)/t16-/m1/s1
InChIKeyYFGZHJYFNYIENY-MRXNPFEDSA-N
XLogP3.53
TPSA73.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The IUPAC name of (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one (CID 7306091) is (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one.
What is the SMILES notation for (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The canonical SMILES for (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is COc1ccc(-c2[nH]nc3c2[C@@H](c2cccc(OC)c2)CC(=O)O3)cc1.
What is the InChIKey of (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
The InChIKey is YFGZHJYFNYIENY-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-24-14-8-6-12(7-9-14)19-18-16(11-17(23)26-20(18)22-21-19)13-4-3-5-15(10-13)25-2/h3-10,16H,11H2,1-2H3,(H,21,22)/t16-/m1/s1.
What are the key properties of (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one?
(4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one has a molecular weight of 350.37 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-2H-pyrano[2,3-c]pyrazol-6-one is sourced from PubChem (CID 7306091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).