2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine

C19H26N4 — CID 50978449

IUPAC2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine
SMILESCC(C)(C)n1cc(C2=CCN(CCc3ccccn3)CC2)cn1
InChIInChI=1S/C19H26N4/c1-19(2,3)23-15-17(14-21-23)16-7-11-22(12-8-16)13-9-18-6-4-5-10-20-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeyQRXHHINMXIMWSW-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.36
Rot. Bonds4

About 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine

2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine (PubChem CID 50978449) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine.

Molecular Properties

Compound Name2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine
PubChem CID50978449
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC Name2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine
SMILESCC(C)(C)n1cc(C2=CCN(CCc3ccccn3)CC2)cn1
InChIInChI=1S/C19H26N4/c1-19(2,3)23-15-17(14-21-23)16-7-11-22(12-8-16)13-9-18-6-4-5-10-20-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3
InChIKeyQRXHHINMXIMWSW-UHFFFAOYSA-N
XLogP3.36
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine?
The IUPAC name of 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine (CID 50978449) is 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine.
What is the SMILES notation for 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine?
The canonical SMILES for 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine is CC(C)(C)n1cc(C2=CCN(CCc3ccccn3)CC2)cn1.
What is the InChIKey of 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine?
The InChIKey is QRXHHINMXIMWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4/c1-19(2,3)23-15-17(14-21-23)16-7-11-22(12-8-16)13-9-18-6-4-5-10-20-18/h4-7,10,14-15H,8-9,11-13H2,1-3H3.
What are the key properties of 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine?
2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine has a molecular weight of 310.44 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(1-tert-butylpyrazol-4-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]pyridine is sourced from PubChem (CID 50978449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).