5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole

C12H17BrN2O2 — CID 117232101

IUPAC5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
SMILESBrc1c(OC2CCCC2)cnn1C1CCCO1
InChIInChI=1S/C12H17BrN2O2/c13-12-10(17-9-4-1-2-5-9)8-14-15(12)11-6-3-7-16-11/h8-9,11H,1-7H2
InChIKeyANZLAZWDNFRIFF-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.28
Rot. Bonds3

About 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole

5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole (PubChem CID 117232101) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole.

Molecular Properties

Compound Name5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
PubChem CID117232101
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole
SMILESBrc1c(OC2CCCC2)cnn1C1CCCO1
InChIInChI=1S/C12H17BrN2O2/c13-12-10(17-9-4-1-2-5-9)8-14-15(12)11-6-3-7-16-11/h8-9,11H,1-7H2
InChIKeyANZLAZWDNFRIFF-UHFFFAOYSA-N
XLogP3.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole?
The IUPAC name of 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole (CID 117232101) is 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole.
What is the SMILES notation for 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole?
The canonical SMILES for 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole is Brc1c(OC2CCCC2)cnn1C1CCCO1.
What is the InChIKey of 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole?
The InChIKey is ANZLAZWDNFRIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c13-12-10(17-9-4-1-2-5-9)8-14-15(12)11-6-3-7-16-11/h8-9,11H,1-7H2.
What are the key properties of 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole?
5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole has a molecular weight of 301.18 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyloxy-1-(oxolan-2-yl)pyrazole is sourced from PubChem (CID 117232101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).