2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide

C14H20N6O — CID 133273908

IUPAC2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide
SMILESCc1cc(C)n(-c2cncc(N(C)CC(=O)N(C)C)n2)n1
InChIInChI=1S/C14H20N6O/c1-10-6-11(2)20(17-10)13-8-15-7-12(16-13)19(5)9-14(21)18(3)4/h6-8H,9H2,1-5H3
InChIKeyKHEMGMWHIDHWER-UHFFFAOYSA-N
MW288.36 g/mol
LogP0.80
Rot. Bonds4

About 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide

2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide (PubChem CID 133273908) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide
PubChem CID133273908
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC Name2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide
SMILESCc1cc(C)n(-c2cncc(N(C)CC(=O)N(C)C)n2)n1
InChIInChI=1S/C14H20N6O/c1-10-6-11(2)20(17-10)13-8-15-7-12(16-13)19(5)9-14(21)18(3)4/h6-8H,9H2,1-5H3
InChIKeyKHEMGMWHIDHWER-UHFFFAOYSA-N
XLogP0.80
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide (CID 133273908) is 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide is Cc1cc(C)n(-c2cncc(N(C)CC(=O)N(C)C)n2)n1.
What is the InChIKey of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide?
The InChIKey is KHEMGMWHIDHWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-10-6-11(2)20(17-10)13-8-15-7-12(16-13)19(5)9-14(21)18(3)4/h6-8H,9H2,1-5H3.
What are the key properties of 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide?
2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide has a molecular weight of 288.36 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 133273908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).