ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine

C21H26N4 — CID 91131367

IUPACethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine
SMILESCC.c1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H20N4.C2H6/c1-2-4-15(5-3-1)18-17(14-6-10-20-11-7-14)19(23-22-18)16-8-12-21-13-9-16;1-2/h1-7,10-11,16,21H,8-9,12-13H2,(H,22,23);1-2H3
InChIKeyMCBZKLPCPAQCJD-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.63
Rot. Bonds3

About ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine

ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine (PubChem CID 91131367) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine.

Molecular Properties

Compound Nameethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine
PubChem CID91131367
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Nameethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine
SMILESCC.c1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H20N4.C2H6/c1-2-4-15(5-3-1)18-17(14-6-10-20-11-7-14)19(23-22-18)16-8-12-21-13-9-16;1-2/h1-7,10-11,16,21H,8-9,12-13H2,(H,22,23);1-2H3
InChIKeyMCBZKLPCPAQCJD-UHFFFAOYSA-N
XLogP4.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine?
The IUPAC name of ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine (CID 91131367) is ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine.
What is the SMILES notation for ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine?
The canonical SMILES for ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine is CC.c1ccc(-c2n[nH]c(C3CCNCC3)c2-c2ccncc2)cc1.
What is the InChIKey of ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine?
The InChIKey is MCBZKLPCPAQCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4.C2H6/c1-2-4-15(5-3-1)18-17(14-6-10-20-11-7-14)19(23-22-18)16-8-12-21-13-9-16;1-2/h1-7,10-11,16,21H,8-9,12-13H2,(H,22,23);1-2H3.
What are the key properties of ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine?
ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine has a molecular weight of 334.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(3-phenyl-5-piperidin-4-yl-1H-pyrazol-4-yl)pyridine is sourced from PubChem (CID 91131367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).