5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

C20H21N3O — CID 3158691

IUPAC5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1
InChIInChI=1S/C20H21N3O/c1-4-24-16-8-6-15(7-9-16)20-21-18-10-5-13(2)11-17(18)19-12-14(3)22-23(19)20/h5-12,20-21H,4H2,1-3H3
InChIKeyDMRDKSYXLVRDPR-UHFFFAOYSA-N
MW319.41 g/mol
LogP4.54
Rot. Bonds3

About 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline

5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158691) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158691
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1
InChIInChI=1S/C20H21N3O/c1-4-24-16-8-6-15(7-9-16)20-21-18-10-5-13(2)11-17(18)19-12-14(3)22-23(19)20/h5-12,20-21H,4H2,1-3H3
InChIKeyDMRDKSYXLVRDPR-UHFFFAOYSA-N
XLogP4.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158691) is 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is CCOc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is DMRDKSYXLVRDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-4-24-16-8-6-15(7-9-16)20-21-18-10-5-13(2)11-17(18)19-12-14(3)22-23(19)20/h5-12,20-21H,4H2,1-3H3.
What are the key properties of 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 319.41 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).