N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide

C11H17N5O2 — CID 113402026

IUPACN-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C11H17N5O2/c1-8(17)14-10-2-3-15(6-10)11(18)7-16-5-9(12)4-13-16/h4-5,10H,2-3,6-7,12H2,1H3,(H,14,17)
InChIKeyXULBSVWIAHXFQC-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.80
Rot. Bonds3

About N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide

N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 113402026) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
PubChem CID113402026
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)Cn2cc(N)cn2)C1
InChIInChI=1S/C11H17N5O2/c1-8(17)14-10-2-3-15(6-10)11(18)7-16-5-9(12)4-13-16/h4-5,10H,2-3,6-7,12H2,1H3,(H,14,17)
InChIKeyXULBSVWIAHXFQC-UHFFFAOYSA-N
XLogP-0.80
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide (CID 113402026) is N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide is CC(=O)NC1CCN(C(=O)Cn2cc(N)cn2)C1.
What is the InChIKey of N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is XULBSVWIAHXFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8(17)14-10-2-3-15(6-10)11(18)7-16-5-9(12)4-13-16/h4-5,10H,2-3,6-7,12H2,1H3,(H,14,17).
What are the key properties of N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide?
N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 251.29 g/mol, XLogP of -0.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-aminopyrazol-1-yl)acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 113402026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).