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

C19H19N3O — CID 3158655

IUPAC5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3O/c1-3-23-15-10-8-14(9-11-15)19-20-17-7-5-4-6-16(17)18-12-13(2)21-22(18)19/h4-12,19-20H,3H2,1-2H3
InChIKeyXSUJNRMBZXPXTR-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.23
Rot. Bonds3

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

5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (PubChem CID 3158655) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
PubChem CID3158655
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
SMILESCCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1
InChIInChI=1S/C19H19N3O/c1-3-23-15-10-8-14(9-11-15)19-20-17-7-5-4-6-16(17)18-12-13(2)21-22(18)19/h4-12,19-20H,3H2,1-2H3
InChIKeyXSUJNRMBZXPXTR-UHFFFAOYSA-N
XLogP4.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.23
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-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The IUPAC name of 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline (CID 3158655) is 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline.
What is the SMILES notation for 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The canonical SMILES for 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is CCOc1ccc(C2Nc3ccccc3-c3cc(C)nn32)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
The InChIKey is XSUJNRMBZXPXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-3-23-15-10-8-14(9-11-15)19-20-17-7-5-4-6-16(17)18-12-13(2)21-22(18)19/h4-12,19-20H,3H2,1-2H3.
What are the key properties of 5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline?
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline has a molecular weight of 305.38 g/mol, XLogP of 4.23, 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-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline is sourced from PubChem (CID 3158655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).