2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol

C19H19N3O2 — CID 3878015

IUPAC2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
SMILESCOc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-11-4-7-16-15(8-11)17-9-12(2)21-22(17)19(20-16)14-6-5-13(24-3)10-18(14)23/h4-10,19-20,23H,1-3H3
InChIKeyHIJBZSHBJZMTNC-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.85
Rot. Bonds2

About 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol

2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol (PubChem CID 3878015) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol.

Molecular Properties

Compound Name2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
PubChem CID3878015
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol
SMILESCOc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)c(O)c1
InChIInChI=1S/C19H19N3O2/c1-11-4-7-16-15(8-11)17-9-12(2)21-22(17)19(20-16)14-6-5-13(24-3)10-18(14)23/h4-10,19-20,23H,1-3H3
InChIKeyHIJBZSHBJZMTNC-UHFFFAOYSA-N
XLogP3.85
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-(4-methoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 135814122
4-bromo-2-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982265
5-(4-ethoxyphenyl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158691
4-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-2-ethoxyphenol
CID 4546081
2,9-dimethyl-5-[2-(trifluoromethyl)phenyl]-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 5043160
3-methoxy-4-[(5S)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 848146
5-(furan-2-yl)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3556244
5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
4-[(5R)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]benzene-1,3-diol
CID 1095748
2-methoxy-6-[(5R)-2,7,9-trimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095727
4-[4-[(5S)-2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenyl]morpholine
CID 135726038
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276

Frequently Asked Questions

What is the IUPAC name of 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol?
The IUPAC name of 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol (CID 3878015) is 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol.
What is the SMILES notation for 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol?
The canonical SMILES for 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol is COc1ccc(C2Nc3ccc(C)cc3-c3cc(C)nn32)c(O)c1.
What is the InChIKey of 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol?
The InChIKey is HIJBZSHBJZMTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-11-4-7-16-15(8-11)17-9-12(2)21-22(17)19(20-16)14-6-5-13(24-3)10-18(14)23/h4-10,19-20,23H,1-3H3.
What are the key properties of 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol?
2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol has a molecular weight of 321.38 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,9-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl)-5-methoxyphenol is sourced from PubChem (CID 3878015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).