cyclohexyl 2-(3-aminopyrazol-1-yl)acetate

C11H17N3O2 — CID 62111751

IUPACcyclohexyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OC2CCCCC2)n1
InChIInChI=1S/C11H17N3O2/c12-10-6-7-14(13-10)8-11(15)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,13)
InChIKeyQYWWPOYHTZXZTF-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.34
Rot. Bonds3

About cyclohexyl 2-(3-aminopyrazol-1-yl)acetate

cyclohexyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 62111751) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is cyclohexyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Namecyclohexyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID62111751
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Namecyclohexyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OC2CCCCC2)n1
InChIInChI=1S/C11H17N3O2/c12-10-6-7-14(13-10)8-11(15)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,13)
InChIKeyQYWWPOYHTZXZTF-UHFFFAOYSA-N
XLogP1.34
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of cyclohexyl 2-(3-aminopyrazol-1-yl)acetate (CID 62111751) is cyclohexyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for cyclohexyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for cyclohexyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OC2CCCCC2)n1.
What is the InChIKey of cyclohexyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is QYWWPOYHTZXZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c12-10-6-7-14(13-10)8-11(15)16-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H2,12,13).
What are the key properties of cyclohexyl 2-(3-aminopyrazol-1-yl)acetate?
cyclohexyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 223.28 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 62111751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).