5-(1-hexylpyrazol-4-yl)pyridin-3-ol

C14H19N3O — CID 175663665

IUPAC5-(1-hexylpyrazol-4-yl)pyridin-3-ol
SMILESCCCCCCn1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-17-11-13(9-16-17)12-7-14(18)10-15-8-12/h7-11,18H,2-6H2,1H3
InChIKeyAMYCNZWWLXKHPB-UHFFFAOYSA-N
MW245.33 g/mol
LogP3.23
Rot. Bonds6

About 5-(1-hexylpyrazol-4-yl)pyridin-3-ol

5-(1-hexylpyrazol-4-yl)pyridin-3-ol (PubChem CID 175663665) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-(1-hexylpyrazol-4-yl)pyridin-3-ol.

Molecular Properties

Compound Name5-(1-hexylpyrazol-4-yl)pyridin-3-ol
PubChem CID175663665
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-(1-hexylpyrazol-4-yl)pyridin-3-ol
SMILESCCCCCCn1cc(-c2cncc(O)c2)cn1
InChIInChI=1S/C14H19N3O/c1-2-3-4-5-6-17-11-13(9-16-17)12-7-14(18)10-15-8-12/h7-11,18H,2-6H2,1H3
InChIKeyAMYCNZWWLXKHPB-UHFFFAOYSA-N
XLogP3.23
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-hexylpyrazol-4-yl)pyridin-3-ol?
The IUPAC name of 5-(1-hexylpyrazol-4-yl)pyridin-3-ol (CID 175663665) is 5-(1-hexylpyrazol-4-yl)pyridin-3-ol.
What is the SMILES notation for 5-(1-hexylpyrazol-4-yl)pyridin-3-ol?
The canonical SMILES for 5-(1-hexylpyrazol-4-yl)pyridin-3-ol is CCCCCCn1cc(-c2cncc(O)c2)cn1.
What is the InChIKey of 5-(1-hexylpyrazol-4-yl)pyridin-3-ol?
The InChIKey is AMYCNZWWLXKHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-2-3-4-5-6-17-11-13(9-16-17)12-7-14(18)10-15-8-12/h7-11,18H,2-6H2,1H3.
What are the key properties of 5-(1-hexylpyrazol-4-yl)pyridin-3-ol?
5-(1-hexylpyrazol-4-yl)pyridin-3-ol has a molecular weight of 245.33 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hexylpyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 175663665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).