2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide

C12H23N5O — CID 66015190

IUPAC2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCc1nn(C)c(N(CC)CC(=O)N(C)C)c1N
InChIInChI=1S/C12H23N5O/c1-6-9-11(13)12(16(5)14-9)17(7-2)8-10(18)15(3)4/h6-8,13H2,1-5H3
InChIKeyHEXIOKXUSBLMEN-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.48
Rot. Bonds5

About 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide

2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide (PubChem CID 66015190) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide
PubChem CID66015190
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide
SMILESCCc1nn(C)c(N(CC)CC(=O)N(C)C)c1N
InChIInChI=1S/C12H23N5O/c1-6-9-11(13)12(16(5)14-9)17(7-2)8-10(18)15(3)4/h6-8,13H2,1-5H3
InChIKeyHEXIOKXUSBLMEN-UHFFFAOYSA-N
XLogP0.48
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide (CID 66015190) is 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide is CCc1nn(C)c(N(CC)CC(=O)N(C)C)c1N.
What is the InChIKey of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide?
The InChIKey is HEXIOKXUSBLMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-6-9-11(13)12(16(5)14-9)17(7-2)8-10(18)15(3)4/h6-8,13H2,1-5H3.
What are the key properties of 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide?
2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide has a molecular weight of 253.35 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-ethyl-1-methylpyrazol-5-yl)-ethylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 66015190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).