oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine

C19H25N3O5 — CID 21154735

IUPACoxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
SMILESCCC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H23N3O.C2H2O4/c1-2-17(20-11-7-4-8-12-20)21-16-13-15(18-19-16)14-9-5-3-6-10-14;3-1(4)2(5)6/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyWKAFQQDYKLXBAP-UHFFFAOYSA-N
MW375.43 g/mol
LogP2.83
Rot. Bonds5

About oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine

oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine (PubChem CID 21154735) has the molecular formula C19H25N3O5 and a molecular weight of 375.43 g/mol. Its IUPAC name is oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine.

Molecular Properties

Compound Nameoxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
PubChem CID21154735
Molecular FormulaC19H25N3O5
Molecular Weight375.43 g/mol
Exact Mass375.18
IUPAC Nameoxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine
SMILESCCC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1.O=C(O)C(=O)O
InChIInChI=1S/C17H23N3O.C2H2O4/c1-2-17(20-11-7-4-8-12-20)21-16-13-15(18-19-16)14-9-5-3-6-10-14;3-1(4)2(5)6/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6)
InChIKeyWKAFQQDYKLXBAP-UHFFFAOYSA-N
XLogP2.83
TPSA115.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The IUPAC name of oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine (CID 21154735) is oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine.
What is the SMILES notation for oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The canonical SMILES for oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine is CCC(Oc1cc(-c2ccccc2)[nH]n1)N1CCCCC1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
The InChIKey is WKAFQQDYKLXBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O.C2H2O4/c1-2-17(20-11-7-4-8-12-20)21-16-13-15(18-19-16)14-9-5-3-6-10-14;3-1(4)2(5)6/h3,5-6,9-10,13,17H,2,4,7-8,11-12H2,1H3,(H,18,19);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine?
oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine has a molecular weight of 375.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[1-[(5-phenyl-1H-pyrazol-3-yl)oxy]propyl]piperidine is sourced from PubChem (CID 21154735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).