4-(4-cyclopentyloxypyrazol-1-yl)phenol

C14H16N2O2 — CID 117229611

IUPAC4-(4-cyclopentyloxypyrazol-1-yl)phenol
SMILESOc1ccc(-n2cc(OC3CCCC3)cn2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-7-5-11(6-8-12)16-10-14(9-15-16)18-13-3-1-2-4-13/h5-10,13,17H,1-4H2
InChIKeySNSSKZJQZDOARV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.90
Rot. Bonds3

About 4-(4-cyclopentyloxypyrazol-1-yl)phenol

4-(4-cyclopentyloxypyrazol-1-yl)phenol (PubChem CID 117229611) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(4-cyclopentyloxypyrazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-cyclopentyloxypyrazol-1-yl)phenol
PubChem CID117229611
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(4-cyclopentyloxypyrazol-1-yl)phenol
SMILESOc1ccc(-n2cc(OC3CCCC3)cn2)cc1
InChIInChI=1S/C14H16N2O2/c17-12-7-5-11(6-8-12)16-10-14(9-15-16)18-13-3-1-2-4-13/h5-10,13,17H,1-4H2
InChIKeySNSSKZJQZDOARV-UHFFFAOYSA-N
XLogP2.90
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentyloxypyrazol-1-yl)phenol?
The IUPAC name of 4-(4-cyclopentyloxypyrazol-1-yl)phenol (CID 117229611) is 4-(4-cyclopentyloxypyrazol-1-yl)phenol.
What is the SMILES notation for 4-(4-cyclopentyloxypyrazol-1-yl)phenol?
The canonical SMILES for 4-(4-cyclopentyloxypyrazol-1-yl)phenol is Oc1ccc(-n2cc(OC3CCCC3)cn2)cc1.
What is the InChIKey of 4-(4-cyclopentyloxypyrazol-1-yl)phenol?
The InChIKey is SNSSKZJQZDOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c17-12-7-5-11(6-8-12)16-10-14(9-15-16)18-13-3-1-2-4-13/h5-10,13,17H,1-4H2.
What are the key properties of 4-(4-cyclopentyloxypyrazol-1-yl)phenol?
4-(4-cyclopentyloxypyrazol-1-yl)phenol has a molecular weight of 244.29 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentyloxypyrazol-1-yl)phenol is sourced from PubChem (CID 117229611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).