2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine

C22H17N3 — CID 71718544

IUPAC2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine
SMILESc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)nc1
InChIInChI=1S/C22H17N3/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)22(17)21-14-20(24-25-21)19-11-5-6-12-23-19/h1-13,20,24H,14H2/t20-/m0/s1
InChIKeyJKSMWPCPBMIBFS-FQEVSTJZSA-N
MW323.40 g/mol
LogP4.83
Rot. Bonds2

About 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine

2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine (PubChem CID 71718544) has the molecular formula C22H17N3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine
PubChem CID71718544
Molecular FormulaC22H17N3
Molecular Weight323.40 g/mol
Exact Mass323.14
IUPAC Name2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine
SMILESc1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)nc1
InChIInChI=1S/C22H17N3/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)22(17)21-14-20(24-25-21)19-11-5-6-12-23-19/h1-13,20,24H,14H2/t20-/m0/s1
InChIKeyJKSMWPCPBMIBFS-FQEVSTJZSA-N
XLogP4.83
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine (CID 71718544) is 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine is c1ccc([C@@H]2CC(c3c4ccccc4cc4ccccc34)=NN2)nc1.
What is the InChIKey of 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
The InChIKey is JKSMWPCPBMIBFS-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H17N3/c1-3-9-17-15(7-1)13-16-8-2-4-10-18(16)22(17)21-14-20(24-25-21)19-11-5-6-12-23-19/h1-13,20,24H,14H2/t20-/m0/s1.
What are the key properties of 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine?
2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine has a molecular weight of 323.40 g/mol, XLogP of 4.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-3-anthracen-9-yl-4,5-dihydro-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 71718544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).