N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide

C13H24N4O2 — CID 115600773

IUPACN,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1c(C)nn(C)c1OC
InChIInChI=1S/C13H24N4O2/c1-6-17(7-2)12(18)9-14-8-11-10(3)15-16(4)13(11)19-5/h14H,6-9H2,1-5H3
InChIKeyXMYJXRQWOMLHSI-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.70
Rot. Bonds7

About N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide

N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide (PubChem CID 115600773) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
PubChem CID115600773
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC NameN,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
SMILESCCN(CC)C(=O)CNCc1c(C)nn(C)c1OC
InChIInChI=1S/C13H24N4O2/c1-6-17(7-2)12(18)9-14-8-11-10(3)15-16(4)13(11)19-5/h14H,6-9H2,1-5H3
InChIKeyXMYJXRQWOMLHSI-UHFFFAOYSA-N
XLogP0.70
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide (CID 115600773) is N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide is CCN(CC)C(=O)CNCc1c(C)nn(C)c1OC.
What is the InChIKey of N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is XMYJXRQWOMLHSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-6-17(7-2)12(18)9-14-8-11-10(3)15-16(4)13(11)19-5/h14H,6-9H2,1-5H3.
What are the key properties of N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide?
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 268.36 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 115600773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).