3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

C18H17N3O — CID 1095775

IUPAC3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cccc1-2
InChIInChI=1S/C18H17N3O/c1-11-5-3-8-15-16-9-12(2)20-21(16)18(19-17(11)15)13-6-4-7-14(22)10-13/h3-10,18-19,22H,1-2H3/t18-/m0/s1
InChIKeyOKYVXGTZPHTRPK-SFHVURJKSA-N
MW291.35 g/mol
LogP3.84
Rot. Bonds1

About 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol

3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (PubChem CID 1095775) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.

Molecular Properties

Compound Name3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
PubChem CID1095775
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol
SMILESCc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cccc1-2
InChIInChI=1S/C18H17N3O/c1-11-5-3-8-15-16-9-12(2)20-21(16)18(19-17(11)15)13-6-4-7-14(22)10-13/h3-10,18-19,22H,1-2H3/t18-/m0/s1
InChIKeyOKYVXGTZPHTRPK-SFHVURJKSA-N
XLogP3.84
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The IUPAC name of 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol (CID 1095775) is 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol.
What is the SMILES notation for 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The canonical SMILES for 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is Cc1cc2n(n1)[C@@H](c1cccc(O)c1)Nc1c(C)cccc1-2.
What is the InChIKey of 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
The InChIKey is OKYVXGTZPHTRPK-SFHVURJKSA-N. The full InChI is InChI=1S/C18H17N3O/c1-11-5-3-8-15-16-9-12(2)20-21(16)18(19-17(11)15)13-6-4-7-14(22)10-13/h3-10,18-19,22H,1-2H3/t18-/m0/s1.
What are the key properties of 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol?
3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol has a molecular weight of 291.35 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5S)-2,7-dimethyl-5,6-dihydropyrazolo[1,5-c]quinazolin-5-yl]phenol is sourced from PubChem (CID 1095775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).