4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol

C21H19N3O2 — CID 142445939

IUPAC4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESCOc1cc2[nH]ncc2c2c3c(c(-c4ccc(O)cc4)nc12)CCCC3
InChIInChI=1S/C21H19N3O2/c1-26-18-10-17-16(11-22-24-17)19-14-4-2-3-5-15(14)20(23-21(18)19)12-6-8-13(25)9-7-12/h6-11,25H,2-5H2,1H3,(H,22,24)
InChIKeyLDLYCEGMWMKXSC-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.37
Rot. Bonds2

About 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol

4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (PubChem CID 142445939) has the molecular formula C21H19N3O2 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
PubChem CID142445939
Molecular FormulaC21H19N3O2
Molecular Weight345.40 g/mol
Exact Mass345.15
IUPAC Name4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol
SMILESCOc1cc2[nH]ncc2c2c3c(c(-c4ccc(O)cc4)nc12)CCCC3
InChIInChI=1S/C21H19N3O2/c1-26-18-10-17-16(11-22-24-17)19-14-4-2-3-5-15(14)20(23-21(18)19)12-6-8-13(25)9-7-12/h6-11,25H,2-5H2,1H3,(H,22,24)
InChIKeyLDLYCEGMWMKXSC-UHFFFAOYSA-N
XLogP4.37
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol (CID 142445939) is 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is COc1cc2[nH]ncc2c2c3c(c(-c4ccc(O)cc4)nc12)CCCC3.
What is the InChIKey of 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
The InChIKey is LDLYCEGMWMKXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O2/c1-26-18-10-17-16(11-22-24-17)19-14-4-2-3-5-15(14)20(23-21(18)19)12-6-8-13(25)9-7-12/h6-11,25H,2-5H2,1H3,(H,22,24).
What are the key properties of 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol?
4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol has a molecular weight of 345.40 g/mol, XLogP of 4.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-8,9,10,11-tetrahydro-3H-pyrazolo[4,3-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).