4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine

C20H27N3 — CID 50981214

IUPAC4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)n1cc(C2=CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N3/c1-20(2,3)23-16-19(15-21-23)18-10-13-22(14-11-18)12-9-17-7-5-4-6-8-17/h4-8,10,15-16H,9,11-14H2,1-3H3
InChIKeyWAQWPCQGXQDDDL-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.97
Rot. Bonds4

About 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine

4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine (PubChem CID 50981214) has the molecular formula C20H27N3 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
PubChem CID50981214
Molecular FormulaC20H27N3
Molecular Weight309.46 g/mol
Exact Mass309.22
IUPAC Name4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)n1cc(C2=CCN(CCc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N3/c1-20(2,3)23-16-19(15-21-23)18-10-13-22(14-11-18)12-9-17-7-5-4-6-8-17/h4-8,10,15-16H,9,11-14H2,1-3H3
InChIKeyWAQWPCQGXQDDDL-UHFFFAOYSA-N
XLogP3.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine (CID 50981214) is 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine is CC(C)(C)n1cc(C2=CCN(CCc3ccccc3)CC2)cn1.
What is the InChIKey of 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is WAQWPCQGXQDDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3/c1-20(2,3)23-16-19(15-21-23)18-10-13-22(14-11-18)12-9-17-7-5-4-6-8-17/h4-8,10,15-16H,9,11-14H2,1-3H3.
What are the key properties of 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine?
4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 309.46 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-tert-butylpyrazol-4-yl)-1-(2-phenylethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 50981214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).