2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide

C11H19N3O — CID 60656219

IUPAC2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O/c1-5-14(6-2)11(15)7-10-8(3)12-13-9(10)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyUVFNPORWABZGJK-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.44
Rot. Bonds4

About 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide (PubChem CID 60656219) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
PubChem CID60656219
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1c(C)n[nH]c1C
InChIInChI=1S/C11H19N3O/c1-5-14(6-2)11(15)7-10-8(3)12-13-9(10)4/h5-7H2,1-4H3,(H,12,13)
InChIKeyUVFNPORWABZGJK-UHFFFAOYSA-N
XLogP1.44
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide (CID 60656219) is 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cc1c(C)n[nH]c1C.
What is the InChIKey of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
The InChIKey is UVFNPORWABZGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-14(6-2)11(15)7-10-8(3)12-13-9(10)4/h5-7H2,1-4H3,(H,12,13).
What are the key properties of 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide?
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide has a molecular weight of 209.29 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1H-pyrazol-4-yl)-N,N-diethylacetamide is sourced from PubChem (CID 60656219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).