(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate

C11H15F2N3O2 — CID 114225002

IUPAC(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCC2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)3-1-8(5-11)7-18-10(17)6-16-4-2-9(14)15-16/h2,4,8H,1,3,5-7H2,(H2,14,15)
InChIKeyWYMPKSCLZQHEFE-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.44
Rot. Bonds4

About (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate

(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate (PubChem CID 114225002) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate.

Molecular Properties

Compound Name(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate
PubChem CID114225002
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate
SMILESNc1ccn(CC(=O)OCC2CCC(F)(F)C2)n1
InChIInChI=1S/C11H15F2N3O2/c12-11(13)3-1-8(5-11)7-18-10(17)6-16-4-2-9(14)15-16/h2,4,8H,1,3,5-7H2,(H2,14,15)
InChIKeyWYMPKSCLZQHEFE-UHFFFAOYSA-N
XLogP1.44
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The IUPAC name of (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate (CID 114225002) is (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate.
What is the SMILES notation for (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The canonical SMILES for (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate is Nc1ccn(CC(=O)OCC2CCC(F)(F)C2)n1.
What is the InChIKey of (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
The InChIKey is WYMPKSCLZQHEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c12-11(13)3-1-8(5-11)7-18-10(17)6-16-4-2-9(14)15-16/h2,4,8H,1,3,5-7H2,(H2,14,15).
What are the key properties of (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate?
(3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate has a molecular weight of 259.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclopentyl)methyl 2-(3-aminopyrazol-1-yl)acetate is sourced from PubChem (CID 114225002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).