9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one

C16H10ClN3O — CID 91379259

IUPAC9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one
SMILESO=C1N=C2C(c3cn[nH]c3)=CCC=C2c2cc(Cl)ccc21
InChIInChI=1S/C16H10ClN3O/c17-10-4-5-13-14(6-10)12-3-1-2-11(9-7-18-19-8-9)15(12)20-16(13)21/h2-8H,1H2,(H,18,19)
InChIKeyFCKAAIIHGIXKRB-UHFFFAOYSA-N
MW295.73 g/mol
LogP3.53
Rot. Bonds1

About 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one

9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one (PubChem CID 91379259) has the molecular formula C16H10ClN3O and a molecular weight of 295.73 g/mol. Its IUPAC name is 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one.

Molecular Properties

Compound Name9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one
PubChem CID91379259
Molecular FormulaC16H10ClN3O
Molecular Weight295.73 g/mol
Exact Mass295.05
IUPAC Name9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one
SMILESO=C1N=C2C(c3cn[nH]c3)=CCC=C2c2cc(Cl)ccc21
InChIInChI=1S/C16H10ClN3O/c17-10-4-5-13-14(6-10)12-3-1-2-11(9-7-18-19-8-9)15(12)20-16(13)21/h2-8H,1H2,(H,18,19)
InChIKeyFCKAAIIHGIXKRB-UHFFFAOYSA-N
XLogP3.53
TPSA58.11 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one?
The IUPAC name of 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one (CID 91379259) is 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one.
What is the SMILES notation for 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one?
The canonical SMILES for 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one is O=C1N=C2C(c3cn[nH]c3)=CCC=C2c2cc(Cl)ccc21.
What is the InChIKey of 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one?
The InChIKey is FCKAAIIHGIXKRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClN3O/c17-10-4-5-13-14(6-10)12-3-1-2-11(9-7-18-19-8-9)15(12)20-16(13)21/h2-8H,1H2,(H,18,19).
What are the key properties of 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one?
9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one has a molecular weight of 295.73 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-(1H-pyrazol-4-yl)-2H-phenanthridin-6-one is sourced from PubChem (CID 91379259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).