3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline

C16H12N4 — CID 155445897

IUPAC3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline
SMILESCc1[nH]ncc1-c1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C16H12N4/c1-10-14(9-19-20-10)13-7-12-5-4-11-3-2-6-17-15(11)16(12)18-8-13/h2-9H,1H3,(H,19,20)
InChIKeyQBEUAWASRLASAW-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.48
Rot. Bonds1

About 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline

3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline (PubChem CID 155445897) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline.

Molecular Properties

Compound Name3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline
PubChem CID155445897
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline
SMILESCc1[nH]ncc1-c1cnc2c(ccc3cccnc32)c1
InChIInChI=1S/C16H12N4/c1-10-14(9-19-20-10)13-7-12-5-4-11-3-2-6-17-15(11)16(12)18-8-13/h2-9H,1H3,(H,19,20)
InChIKeyQBEUAWASRLASAW-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[4-(1,10-phenanthrolin-3-yl)phenyl]phenyl]-1,10-phenanthroline
CID 118405011
3-[3-(1,10-phenanthrolin-3-yl)anthracen-2-yl]-1,10-phenanthroline
CID 170897527
3-(4-anthracen-9-ylnaphthalen-1-yl)-1,10-phenanthroline
CID 145221321
3-[6-(1,10-phenanthrolin-3-yl)-2-phenylpyrimidin-4-yl]-1,10-phenanthroline
CID 146474053
3-(4-propoxyphenyl)-1,10-phenanthroline
CID 174763082
1,10-phenanthroline;samarium
CID 174616745
bis(1,10-phenanthroline);dihydrobromide
CID 70430219
CID 58385596
CID 58385596
europium;1,10-phenanthroline
CID 20606755
iridium(3+);1,10-phenanthroline
CID 175702049
osmium;tris(1,10-phenanthroline)
CID 14251798
bis(1,10-phenanthroline);ruthenium
CID 15001085

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline?
The IUPAC name of 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline (CID 155445897) is 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline.
What is the SMILES notation for 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline?
The canonical SMILES for 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline is Cc1[nH]ncc1-c1cnc2c(ccc3cccnc32)c1.
What is the InChIKey of 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline?
The InChIKey is QBEUAWASRLASAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-10-14(9-19-20-10)13-7-12-5-4-11-3-2-6-17-15(11)16(12)18-8-13/h2-9H,1H3,(H,19,20).
What are the key properties of 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline?
3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline has a molecular weight of 260.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-1H-pyrazol-4-yl)-1,10-phenanthroline is sourced from PubChem (CID 155445897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).