N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide

C10H17N5O2 — CID 43572615

IUPACN-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H17N5O2/c1-7(2)15(5-9(12)16)10(17)6-14-4-8(11)3-13-14/h3-4,7H,5-6,11H2,1-2H3,(H2,12,16)
InChIKeyORIICNFEDRVARB-UHFFFAOYSA-N
MW239.28 g/mol
LogP-0.81
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide

N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide (PubChem CID 43572615) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
PubChem CID43572615
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide
SMILESCC(C)N(CC(N)=O)C(=O)Cn1cc(N)cn1
InChIInChI=1S/C10H17N5O2/c1-7(2)15(5-9(12)16)10(17)6-14-4-8(11)3-13-14/h3-4,7H,5-6,11H2,1-2H3,(H2,12,16)
InChIKeyORIICNFEDRVARB-UHFFFAOYSA-N
XLogP-0.81
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-0.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide (CID 43572615) is N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide is CC(C)N(CC(N)=O)C(=O)Cn1cc(N)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide?
The InChIKey is ORIICNFEDRVARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-7(2)15(5-9(12)16)10(17)6-14-4-8(11)3-13-14/h3-4,7H,5-6,11H2,1-2H3,(H2,12,16).
What are the key properties of N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide?
N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide has a molecular weight of 239.28 g/mol, XLogP of -0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-2-(4-aminopyrazol-1-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 43572615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).