5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine

C18H22FN3 — CID 138707876

IUPAC5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
SMILESFc1ccc(-c2cn(C3CCCCC3)nc2C2CCC2)cn1
InChIInChI=1S/C18H22FN3/c19-17-10-9-14(11-20-17)16-12-22(15-7-2-1-3-8-15)21-18(16)13-5-4-6-13/h9-13,15H,1-8H2
InChIKeyDMAZREYBYWKBNM-UHFFFAOYSA-N
MW299.39 g/mol
LogP4.86
Rot. Bonds3

About 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine

5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine (PubChem CID 138707876) has the molecular formula C18H22FN3 and a molecular weight of 299.39 g/mol. Its IUPAC name is 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine.

Molecular Properties

Compound Name5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
PubChem CID138707876
Molecular FormulaC18H22FN3
Molecular Weight299.39 g/mol
Exact Mass299.18
IUPAC Name5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine
SMILESFc1ccc(-c2cn(C3CCCCC3)nc2C2CCC2)cn1
InChIInChI=1S/C18H22FN3/c19-17-10-9-14(11-20-17)16-12-22(15-7-2-1-3-8-15)21-18(16)13-5-4-6-13/h9-13,15H,1-8H2
InChIKeyDMAZREYBYWKBNM-UHFFFAOYSA-N
XLogP4.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine?
The IUPAC name of 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine (CID 138707876) is 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine.
What is the SMILES notation for 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine?
The canonical SMILES for 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine is Fc1ccc(-c2cn(C3CCCCC3)nc2C2CCC2)cn1.
What is the InChIKey of 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine?
The InChIKey is DMAZREYBYWKBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3/c19-17-10-9-14(11-20-17)16-12-22(15-7-2-1-3-8-15)21-18(16)13-5-4-6-13/h9-13,15H,1-8H2.
What are the key properties of 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine?
5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine has a molecular weight of 299.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclobutyl-1-cyclohexylpyrazol-4-yl)-2-fluoropyridine is sourced from PubChem (CID 138707876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).