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

C20H18N4O — CID 142445187

IUPAC4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESNC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1
InChIInChI=1S/C20H18N4O/c21-12-3-6-14-15(9-12)20(11-1-4-13(25)5-2-11)23-18-8-7-17-16(19(14)18)10-22-24-17/h1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24)
InChIKeyPOESJNVVTVLMAL-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.30
Rot. Bonds1

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

4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol (PubChem CID 142445187) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol.

Molecular Properties

Compound Name4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
PubChem CID142445187
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol
SMILESNC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1
InChIInChI=1S/C20H18N4O/c21-12-3-6-14-15(9-12)20(11-1-4-13(25)5-2-11)23-18-8-7-17-16(19(14)18)10-22-24-17/h1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24)
InChIKeyPOESJNVVTVLMAL-UHFFFAOYSA-N
XLogP3.30
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The IUPAC name of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol (CID 142445187) is 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol.
What is the SMILES notation for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The canonical SMILES for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol is NC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.
What is the InChIKey of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
The InChIKey is POESJNVVTVLMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c21-12-3-6-14-15(9-12)20(11-1-4-13(25)5-2-11)23-18-8-7-17-16(19(14)18)10-22-24-17/h1-2,4-5,7-8,10,12,25H,3,6,9,21H2,(H,22,24).
What are the key properties of 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol?
4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol has a molecular weight of 330.39 g/mol, XLogP of 3.30, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(9-amino-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol is sourced from PubChem (CID 142445187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).