N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide

C12H20N4O2 — CID 54986507

IUPACN-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide
SMILESCCNC(=O)CN(CC)c1c(C=O)c(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-5-13-11(18)7-16(6-2)12-10(8-17)9(3)14-15(12)4/h8H,5-7H2,1-4H3,(H,13,18)
InChIKeyHWXJWCMNKHDIRW-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.50
Rot. Bonds6

About N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide

N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide (PubChem CID 54986507) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide
PubChem CID54986507
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide
SMILESCCNC(=O)CN(CC)c1c(C=O)c(C)nn1C
InChIInChI=1S/C12H20N4O2/c1-5-13-11(18)7-16(6-2)12-10(8-17)9(3)14-15(12)4/h8H,5-7H2,1-4H3,(H,13,18)
InChIKeyHWXJWCMNKHDIRW-UHFFFAOYSA-N
XLogP0.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide?
The IUPAC name of N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide (CID 54986507) is N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide.
What is the SMILES notation for N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide?
The canonical SMILES for N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide is CCNC(=O)CN(CC)c1c(C=O)c(C)nn1C.
What is the InChIKey of N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide?
The InChIKey is HWXJWCMNKHDIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-5-13-11(18)7-16(6-2)12-10(8-17)9(3)14-15(12)4/h8H,5-7H2,1-4H3,(H,13,18).
What are the key properties of N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide?
N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[ethyl-(4-formyl-1,3-dimethylpyrazol-5-yl)amino]acetamide is sourced from PubChem (CID 54986507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).