4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine

C19H18ClN3O — CID 20660576

IUPAC4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]nc(OC3CCCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-17(13-9-11-21-12-10-13)19(23-22-18)24-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,22,23)
InChIKeyZBKBYGCEOBMUDQ-UHFFFAOYSA-N
MW339.83 g/mol
LogP5.11
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine (PubChem CID 20660576) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
PubChem CID20660576
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine
SMILESClc1ccc(-c2[nH]nc(OC3CCCC3)c2-c2ccncc2)cc1
InChIInChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-17(13-9-11-21-12-10-13)19(23-22-18)24-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,22,23)
InChIKeyZBKBYGCEOBMUDQ-UHFFFAOYSA-N
XLogP5.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.83
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine (CID 20660576) is 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine is Clc1ccc(-c2[nH]nc(OC3CCCC3)c2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine?
The InChIKey is ZBKBYGCEOBMUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-15-7-5-14(6-8-15)18-17(13-9-11-21-12-10-13)19(23-22-18)24-16-3-1-2-4-16/h5-12,16H,1-4H2,(H,22,23).
What are the key properties of 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine has a molecular weight of 339.83 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-cyclopentyloxy-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 20660576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).