5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole

C12H18ClN3O — CID 117232102

IUPAC5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole
SMILESClc1c(OC2CCCC2)cnn1C1CCCN1
InChIInChI=1S/C12H18ClN3O/c13-12-10(17-9-4-1-2-5-9)8-15-16(12)11-6-3-7-14-11/h8-9,11,14H,1-7H2
InChIKeyJXXOSHHJOYOECI-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.74
Rot. Bonds3

About 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole

5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole (PubChem CID 117232102) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole.

Molecular Properties

Compound Name5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole
PubChem CID117232102
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole
SMILESClc1c(OC2CCCC2)cnn1C1CCCN1
InChIInChI=1S/C12H18ClN3O/c13-12-10(17-9-4-1-2-5-9)8-15-16(12)11-6-3-7-14-11/h8-9,11,14H,1-7H2
InChIKeyJXXOSHHJOYOECI-UHFFFAOYSA-N
XLogP2.74
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole?
The IUPAC name of 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole (CID 117232102) is 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole.
What is the SMILES notation for 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole?
The canonical SMILES for 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole is Clc1c(OC2CCCC2)cnn1C1CCCN1.
What is the InChIKey of 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole?
The InChIKey is JXXOSHHJOYOECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c13-12-10(17-9-4-1-2-5-9)8-15-16(12)11-6-3-7-14-11/h8-9,11,14H,1-7H2.
What are the key properties of 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole?
5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole has a molecular weight of 255.75 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole is sourced from PubChem (CID 117232102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).