N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide

C11H18N4O2 — CID 118531151

IUPACN-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide
SMILESCC(=O)N(C)CCN(C)C(=O)n1cc(C)cn1
InChIInChI=1S/C11H18N4O2/c1-9-7-12-15(8-9)11(17)14(4)6-5-13(3)10(2)16/h7-8H,5-6H2,1-4H3
InChIKeyXNQRZEPEIBJXNF-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds3

About N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide

N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide (PubChem CID 118531151) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide
PubChem CID118531151
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC NameN-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide
SMILESCC(=O)N(C)CCN(C)C(=O)n1cc(C)cn1
InChIInChI=1S/C11H18N4O2/c1-9-7-12-15(8-9)11(17)14(4)6-5-13(3)10(2)16/h7-8H,5-6H2,1-4H3
InChIKeyXNQRZEPEIBJXNF-UHFFFAOYSA-N
XLogP0.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide?
The IUPAC name of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide (CID 118531151) is N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide.
What is the SMILES notation for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide?
The canonical SMILES for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide is CC(=O)N(C)CCN(C)C(=O)n1cc(C)cn1.
What is the InChIKey of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide?
The InChIKey is XNQRZEPEIBJXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-9-7-12-15(8-9)11(17)14(4)6-5-13(3)10(2)16/h7-8H,5-6H2,1-4H3.
What are the key properties of N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide?
N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(methyl)amino]ethyl]-N,4-dimethylpyrazole-1-carboxamide is sourced from PubChem (CID 118531151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).