3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one

C14H10N4O — CID 619501

IUPAC3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one
SMILESCn1[nH]c(=O)c2cnc3c(ccc4cccnc43)c21
InChIInChI=1S/C14H10N4O/c1-18-13-9-5-4-8-3-2-6-15-11(8)12(9)16-7-10(13)14(19)17-18/h2-7H,1H3,(H,17,19)
InChIKeyKBOHYQLFTFOSGK-UHFFFAOYSA-N
MW250.26 g/mol
LogP1.96
Rot. Bonds

About 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one

3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one (PubChem CID 619501) has the molecular formula C14H10N4O and a molecular weight of 250.26 g/mol. Its IUPAC name is 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one.

Molecular Properties

Compound Name3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one
PubChem CID619501
Molecular FormulaC14H10N4O
Molecular Weight250.26 g/mol
Exact Mass250.09
IUPAC Name3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one
SMILESCn1[nH]c(=O)c2cnc3c(ccc4cccnc43)c21
InChIInChI=1S/C14H10N4O/c1-18-13-9-5-4-8-3-2-6-15-11(8)12(9)16-7-10(13)14(19)17-18/h2-7H,1H3,(H,17,19)
InChIKeyKBOHYQLFTFOSGK-UHFFFAOYSA-N
XLogP1.96
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one?
The IUPAC name of 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one (CID 619501) is 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one.
What is the SMILES notation for 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one?
The canonical SMILES for 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one is Cn1[nH]c(=O)c2cnc3c(ccc4cccnc43)c21.
What is the InChIKey of 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one?
The InChIKey is KBOHYQLFTFOSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O/c1-18-13-9-5-4-8-3-2-6-15-11(8)12(9)16-7-10(13)14(19)17-18/h2-7H,1H3,(H,17,19).
What are the key properties of 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one?
3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one has a molecular weight of 250.26 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-pyrazolo[4,3-c][1,10]phenanthrolin-1-one is sourced from PubChem (CID 619501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).