N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide

C9H16N4O2 — CID 21051519

IUPACN-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1c(=O)c(NC)cn1C
InChIInChI=1S/C9H16N4O2/c1-4-11-8(14)6-13-9(15)7(10-2)5-12(13)3/h5,10H,4,6H2,1-3H3,(H,11,14)
InChIKeyACXRSLXOZOOYTC-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.64
Rot. Bonds4

About N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide

N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide (PubChem CID 21051519) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide
PubChem CID21051519
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC NameN-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide
SMILESCCNC(=O)Cn1c(=O)c(NC)cn1C
InChIInChI=1S/C9H16N4O2/c1-4-11-8(14)6-13-9(15)7(10-2)5-12(13)3/h5,10H,4,6H2,1-3H3,(H,11,14)
InChIKeyACXRSLXOZOOYTC-UHFFFAOYSA-N
XLogP-0.64
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide?
The IUPAC name of N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide (CID 21051519) is N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide.
What is the SMILES notation for N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide?
The canonical SMILES for N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide is CCNC(=O)Cn1c(=O)c(NC)cn1C.
What is the InChIKey of N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide?
The InChIKey is ACXRSLXOZOOYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-11-8(14)6-13-9(15)7(10-2)5-12(13)3/h5,10H,4,6H2,1-3H3,(H,11,14).
What are the key properties of N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide?
N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide has a molecular weight of 212.25 g/mol, XLogP of -0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[2-methyl-4-(methylamino)-5-oxopyrazol-1-yl]acetamide is sourced from PubChem (CID 21051519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).