3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

C19H26F3N3O — CID 118881712

IUPAC3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCCCCCOc1cccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H26F3N3O/c1-2-3-4-5-6-7-8-9-13-26-16-11-10-12-23-18(16)15-14-17(25-24-15)19(20,21)22/h10-12,14H,2-9,13H2,1H3,(H,24,25)
InChIKeyIWQMIVWZXNACMP-UHFFFAOYSA-N
MW369.43 g/mol
LogP6.01
Rot. Bonds11

About 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine

3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (PubChem CID 118881712) has the molecular formula C19H26F3N3O and a molecular weight of 369.43 g/mol. Its IUPAC name is 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.

Molecular Properties

Compound Name3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
PubChem CID118881712
Molecular FormulaC19H26F3N3O
Molecular Weight369.43 g/mol
Exact Mass369.20
IUPAC Name3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine
SMILESCCCCCCCCCCOc1cccnc1-c1cc(C(F)(F)F)[nH]n1
InChIInChI=1S/C19H26F3N3O/c1-2-3-4-5-6-7-8-9-13-26-16-11-10-12-23-18(16)15-14-17(25-24-15)19(20,21)22/h10-12,14H,2-9,13H2,1H3,(H,24,25)
InChIKeyIWQMIVWZXNACMP-UHFFFAOYSA-N
XLogP6.01
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The IUPAC name of 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine (CID 118881712) is 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine.
What is the SMILES notation for 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The canonical SMILES for 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is CCCCCCCCCCOc1cccnc1-c1cc(C(F)(F)F)[nH]n1.
What is the InChIKey of 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
The InChIKey is IWQMIVWZXNACMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F3N3O/c1-2-3-4-5-6-7-8-9-13-26-16-11-10-12-23-18(16)15-14-17(25-24-15)19(20,21)22/h10-12,14H,2-9,13H2,1H3,(H,24,25).
What are the key properties of 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine?
3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine has a molecular weight of 369.43 g/mol, XLogP of 6.01, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-decoxy-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine is sourced from PubChem (CID 118881712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).