2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

C21H19N5O4 — CID 26007153

IUPAC2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(C2=NN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)[C@@H](c3ccco3)C2)o1
InChIInChI=1S/C21H19N5O4/c1-12-6-7-18(30-12)16-9-17(19-5-4-8-29-19)26(24-16)20(27)11-25-21(28)15(10-22)13(2)14(3)23-25/h4-8,17H,9,11H2,1-3H3/t17-/m1/s1
InChIKeyGBZWIJALQSHAER-QGZVFWFLSA-N
MW405.41 g/mol
LogP2.60
Rot. Bonds4

About 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 26007153) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID26007153
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCc1ccc(C2=NN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)[C@@H](c3ccco3)C2)o1
InChIInChI=1S/C21H19N5O4/c1-12-6-7-18(30-12)16-9-17(19-5-4-8-29-19)26(24-16)20(27)11-25-21(28)15(10-22)13(2)14(3)23-25/h4-8,17H,9,11H2,1-3H3/t17-/m1/s1
InChIKeyGBZWIJALQSHAER-QGZVFWFLSA-N
XLogP2.60
TPSA117.63 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (CID 26007153) is 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is Cc1ccc(C2=NN(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)[C@@H](c3ccco3)C2)o1.
What is the InChIKey of 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is GBZWIJALQSHAER-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N5O4/c1-12-6-7-18(30-12)16-9-17(19-5-4-8-29-19)26(24-16)20(27)11-25-21(28)15(10-22)13(2)14(3)23-25/h4-8,17H,9,11H2,1-3H3/t17-/m1/s1.
What are the key properties of 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 405.41 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 26007153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).