1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

C17H24N6O — CID 71932928

IUPAC1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCc1cc(C)n(C2CCCN(C(=O)CN(C)c3cnccn3)C2)n1
InChIInChI=1S/C17H24N6O/c1-13-9-14(2)23(20-13)15-5-4-8-22(11-15)17(24)12-21(3)16-10-18-6-7-19-16/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3
InChIKeyGNAGWWODAHFZPO-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.59
Rot. Bonds4

About 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone

1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (PubChem CID 71932928) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
PubChem CID71932928
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone
SMILESCc1cc(C)n(C2CCCN(C(=O)CN(C)c3cnccn3)C2)n1
InChIInChI=1S/C17H24N6O/c1-13-9-14(2)23(20-13)15-5-4-8-22(11-15)17(24)12-21(3)16-10-18-6-7-19-16/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3
InChIKeyGNAGWWODAHFZPO-UHFFFAOYSA-N
XLogP1.59
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The IUPAC name of 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone (CID 71932928) is 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone.
What is the SMILES notation for 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The canonical SMILES for 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is Cc1cc(C)n(C2CCCN(C(=O)CN(C)c3cnccn3)C2)n1.
What is the InChIKey of 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
The InChIKey is GNAGWWODAHFZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O/c1-13-9-14(2)23(20-13)15-5-4-8-22(11-15)17(24)12-21(3)16-10-18-6-7-19-16/h6-7,9-10,15H,4-5,8,11-12H2,1-3H3.
What are the key properties of 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone?
1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone has a molecular weight of 328.42 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,5-dimethylpyrazol-1-yl)piperidin-1-yl]-2-[methyl(pyrazin-2-yl)amino]ethanone is sourced from PubChem (CID 71932928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).