4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine

C21H21N3 — CID 11983282

IUPAC4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
InChIKeyUOKGFRGTMUWXQL-UHFFFAOYSA-N
MW315.42 g/mol
LogP4.16
Rot. Bonds4

About 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine

4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine (PubChem CID 11983282) has the molecular formula C21H21N3 and a molecular weight of 315.42 g/mol. Its IUPAC name is 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine
PubChem CID11983282
Molecular FormulaC21H21N3
Molecular Weight315.42 g/mol
Exact Mass315.17
IUPAC Name4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine
SMILESC1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1
InChIInChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2
InChIKeyUOKGFRGTMUWXQL-UHFFFAOYSA-N
XLogP4.16
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine (CID 11983282) is 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine is C1=C(c2ccccc2)CCN(Cc2cnn(-c3ccccc3)c2)C1.
What is the InChIKey of 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine?
The InChIKey is UOKGFRGTMUWXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3/c1-3-7-19(8-4-1)20-11-13-23(14-12-20)16-18-15-22-24(17-18)21-9-5-2-6-10-21/h1-11,15,17H,12-14,16H2.
What are the key properties of 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine?
4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine has a molecular weight of 315.42 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(1-phenylpyrazol-4-yl)methyl]-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 11983282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).