5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine

C19H23F2N3 — CID 174110618

IUPAC5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cc(C3CCC(F)(F)C3)ncc2C2CCCC2)n1
InChIInChI=1S/C19H23F2N3/c1-24-9-7-17(23-24)15-10-18(14-6-8-19(20,21)11-14)22-12-16(15)13-4-2-3-5-13/h7,9-10,12-14H,2-6,8,11H2,1H3
InChIKeySOWQIWLIXUVNMM-UHFFFAOYSA-N
MW331.41 g/mol
LogP5.04
Rot. Bonds3

About 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine

5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine (PubChem CID 174110618) has the molecular formula C19H23F2N3 and a molecular weight of 331.41 g/mol. Its IUPAC name is 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine.

Molecular Properties

Compound Name5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine
PubChem CID174110618
Molecular FormulaC19H23F2N3
Molecular Weight331.41 g/mol
Exact Mass331.19
IUPAC Name5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine
SMILESCn1ccc(-c2cc(C3CCC(F)(F)C3)ncc2C2CCCC2)n1
InChIInChI=1S/C19H23F2N3/c1-24-9-7-17(23-24)15-10-18(14-6-8-19(20,21)11-14)22-12-16(15)13-4-2-3-5-13/h7,9-10,12-14H,2-6,8,11H2,1H3
InChIKeySOWQIWLIXUVNMM-UHFFFAOYSA-N
XLogP5.04
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.41
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine?
The IUPAC name of 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine (CID 174110618) is 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine.
What is the SMILES notation for 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine?
The canonical SMILES for 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine is Cn1ccc(-c2cc(C3CCC(F)(F)C3)ncc2C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine?
The InChIKey is SOWQIWLIXUVNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3/c1-24-9-7-17(23-24)15-10-18(14-6-8-19(20,21)11-14)22-12-16(15)13-4-2-3-5-13/h7,9-10,12-14H,2-6,8,11H2,1H3.
What are the key properties of 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine?
5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine has a molecular weight of 331.41 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-2-(3,3-difluorocyclopentyl)-4-(1-methylpyrazol-3-yl)pyridine is sourced from PubChem (CID 174110618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).