[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc

C23H26N6O2Zn — CID 163729308

IUPAC[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc
SMILESOC(c1ccncc1)c1ccn(C2CCCCO2)n1.[Zn].c1cc(Cc2ccn[nH]2)ccn1
InChIInChI=1S/C14H17N3O2.C9H9N3.Zn/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;1-4-10-5-2-8(1)7-9-3-6-11-12-9;/h4-9,13-14,18H,1-3,10H2;1-6H,7H2,(H,11,12);
InChIKeyKYFRXPYMWOAKEW-UHFFFAOYSA-N
MW483.89 g/mol
LogP3.45
Rot. Bonds5

About [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc

[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc (PubChem CID 163729308) has the molecular formula C23H26N6O2Zn and a molecular weight of 483.89 g/mol. Its IUPAC name is [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc.

Molecular Properties

Compound Name[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc
PubChem CID163729308
Molecular FormulaC23H26N6O2Zn
Molecular Weight483.89 g/mol
Exact Mass482.14
IUPAC Name[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc
SMILESOC(c1ccncc1)c1ccn(C2CCCCO2)n1.[Zn].c1cc(Cc2ccn[nH]2)ccn1
InChIInChI=1S/C14H17N3O2.C9H9N3.Zn/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;1-4-10-5-2-8(1)7-9-3-6-11-12-9;/h4-9,13-14,18H,1-3,10H2;1-6H,7H2,(H,11,12);
InChIKeyKYFRXPYMWOAKEW-UHFFFAOYSA-N
XLogP3.45
TPSA101.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.89
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc?
The IUPAC name of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc (CID 163729308) is [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc.
What is the SMILES notation for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc?
The canonical SMILES for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc is OC(c1ccncc1)c1ccn(C2CCCCO2)n1.[Zn].c1cc(Cc2ccn[nH]2)ccn1.
What is the InChIKey of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc?
The InChIKey is KYFRXPYMWOAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2.C9H9N3.Zn/c18-14(11-4-7-15-8-5-11)12-6-9-17(16-12)13-3-1-2-10-19-13;1-4-10-5-2-8(1)7-9-3-6-11-12-9;/h4-9,13-14,18H,1-3,10H2;1-6H,7H2,(H,11,12);.
What are the key properties of [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc?
[1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc has a molecular weight of 483.89 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(oxan-2-yl)pyrazol-3-yl]-pyridin-4-ylmethanol;4-(1H-pyrazol-5-ylmethyl)pyridine;zinc is sourced from PubChem (CID 163729308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).