3-methyl-2H-phenanthro[9,10-c]pyrazole

C16H12N2 — CID 134820650

IUPAC3-methyl-2H-phenanthro[9,10-c]pyrazole
SMILESCc1[nH]nc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C16H12N2/c1-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-17-10/h2-9H,1H3,(H,17,18)
InChIKeyJAWQIDDLHHHKFO-UHFFFAOYSA-N
MW232.29 g/mol
LogP4.18
Rot. Bonds

About 3-methyl-2H-phenanthro[9,10-c]pyrazole

3-methyl-2H-phenanthro[9,10-c]pyrazole (PubChem CID 134820650) has the molecular formula C16H12N2 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-2H-phenanthro[9,10-c]pyrazole.

Molecular Properties

Compound Name3-methyl-2H-phenanthro[9,10-c]pyrazole
PubChem CID134820650
Molecular FormulaC16H12N2
Molecular Weight232.29 g/mol
Exact Mass232.10
IUPAC Name3-methyl-2H-phenanthro[9,10-c]pyrazole
SMILESCc1[nH]nc2c3ccccc3c3ccccc3c12
InChIInChI=1S/C16H12N2/c1-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-17-10/h2-9H,1H3,(H,17,18)
InChIKeyJAWQIDDLHHHKFO-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-phenanthro[9,10-c]pyrazole?
The IUPAC name of 3-methyl-2H-phenanthro[9,10-c]pyrazole (CID 134820650) is 3-methyl-2H-phenanthro[9,10-c]pyrazole.
What is the SMILES notation for 3-methyl-2H-phenanthro[9,10-c]pyrazole?
The canonical SMILES for 3-methyl-2H-phenanthro[9,10-c]pyrazole is Cc1[nH]nc2c3ccccc3c3ccccc3c12.
What is the InChIKey of 3-methyl-2H-phenanthro[9,10-c]pyrazole?
The InChIKey is JAWQIDDLHHHKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2/c1-10-15-13-8-4-2-6-11(13)12-7-3-5-9-14(12)16(15)18-17-10/h2-9H,1H3,(H,17,18).
What are the key properties of 3-methyl-2H-phenanthro[9,10-c]pyrazole?
3-methyl-2H-phenanthro[9,10-c]pyrazole has a molecular weight of 232.29 g/mol, XLogP of 4.18, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2H-phenanthro[9,10-c]pyrazole is sourced from PubChem (CID 134820650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).