2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

C13H24N4O2 — CID 61322941

IUPAC2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-19-12(18)9-17-11(4)13(14)10(3)15-17/h5-9,14H2,1-4H3
InChIKeyNIDRZYMWEBSYON-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.97
Rot. Bonds7

About 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate

2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (PubChem CID 61322941) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
PubChem CID61322941
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate
SMILESCCN(CC)CCOC(=O)Cn1nc(C)c(N)c1C
InChIInChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-19-12(18)9-17-11(4)13(14)10(3)15-17/h5-9,14H2,1-4H3
InChIKeyNIDRZYMWEBSYON-UHFFFAOYSA-N
XLogP0.97
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The IUPAC name of 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate (CID 61322941) is 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate.
What is the SMILES notation for 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The canonical SMILES for 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is CCN(CC)CCOC(=O)Cn1nc(C)c(N)c1C.
What is the InChIKey of 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
The InChIKey is NIDRZYMWEBSYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-16(6-2)7-8-19-12(18)9-17-11(4)13(14)10(3)15-17/h5-9,14H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate?
2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate has a molecular weight of 268.36 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-(4-amino-3,5-dimethylpyrazol-1-yl)acetate is sourced from PubChem (CID 61322941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).