4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

C17H15N3O — CID 1095515

IUPAC4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@@H](c1ccc(O)cc1)Nc1ccccc1-2
InChIInChI=1S/C17H15N3O/c1-11-10-16-14-4-2-3-5-15(14)18-17(20(16)19-11)12-6-8-13(21)9-7-12/h2-10,17-18,21H,1H3/t17-/m0/s1
InChIKeyCKGOKJIATFRGOS-KRWDZBQOSA-N
MW277.33 g/mol
LogP3.54
Rot. Bonds1

About 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 1095515) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID1095515
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@@H](c1ccc(O)cc1)Nc1ccccc1-2
InChIInChI=1S/C17H15N3O/c1-11-10-16-14-4-2-3-5-15(14)18-17(20(16)19-11)12-6-8-13(21)9-7-12/h2-10,17-18,21H,1H3/t17-/m0/s1
InChIKeyCKGOKJIATFRGOS-KRWDZBQOSA-N
XLogP3.54
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158652
N,N-dimethyl-4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]aniline
CID 1095488
(5S)-2-methyl-5-(4-methylsulfanylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 1095526
5-(4-ethoxyphenyl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3158655
4-bromo-2-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 982276
(5S)-5-(1,3-benzodioxol-5-yl)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 848160
2-methyl-5-(3-phenoxyphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3420775
2-methoxy-6-[(5R)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095521
5-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3589959
2,7-dimethyl-5-(4-methylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 3905470
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
CID 1095775
2,7-dimethyl-5-(4-phenylphenyl)-5,6-dihydropyrazolo[1,5-c]quinazoline
CID 4071688

Frequently Asked Questions

What is the IUPAC name of 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 1095515) is 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is Cc1cc2n(n1)[C@@H](c1ccc(O)cc1)Nc1ccccc1-2.
What is the InChIKey of 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is CKGOKJIATFRGOS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H15N3O/c1-11-10-16-14-4-2-3-5-15(14)18-17(20(16)19-11)12-6-8-13(21)9-7-12/h2-10,17-18,21H,1H3/t17-/m0/s1.
What are the key properties of 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 277.33 g/mol, XLogP of 3.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5S)-2-methyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 1095515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).