2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide

C17H25N7O — CID 133273980

IUPAC2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1
InChIInChI=1S/C17H25N7O/c1-4-19-17(25)12-22-5-7-23(8-6-22)15-10-18-11-16(20-15)24-14(3)9-13(2)21-24/h9-11H,4-8,12H2,1-3H3,(H,19,25)
InChIKeyNPEHQAWQHBOKBW-UHFFFAOYSA-N
MW343.44 g/mol
LogP0.54
Rot. Bonds5

About 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide

2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide (PubChem CID 133273980) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide.

Molecular Properties

Compound Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
PubChem CID133273980
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
SMILESCCNC(=O)CN1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1
InChIInChI=1S/C17H25N7O/c1-4-19-17(25)12-22-5-7-23(8-6-22)15-10-18-11-16(20-15)24-14(3)9-13(2)21-24/h9-11H,4-8,12H2,1-3H3,(H,19,25)
InChIKeyNPEHQAWQHBOKBW-UHFFFAOYSA-N
XLogP0.54
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperazin-1-yl)pyrazine
CID 133273834
1-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 133283460
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 133273937
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
CID 133273983
N-cyclopentyl-2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]propanamide
CID 127282369
(3S)-1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperidine-3-carboxamide
CID 95768737
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-ethylacetamide
CID 90517813
1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 133331636
5-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-1,4-diazepan-1-yl]-3-ethyl-1,2,4-thiadiazole
CID 133328477
2-[[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 133273943

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The IUPAC name of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide (CID 133273980) is 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide.
What is the SMILES notation for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The canonical SMILES for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide is CCNC(=O)CN1CCN(c2cncc(-n3nc(C)cc3C)n2)CC1.
What is the InChIKey of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide?
The InChIKey is NPEHQAWQHBOKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O/c1-4-19-17(25)12-22-5-7-23(8-6-22)15-10-18-11-16(20-15)24-14(3)9-13(2)21-24/h9-11H,4-8,12H2,1-3H3,(H,19,25).
What are the key properties of 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide?
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide has a molecular weight of 343.44 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide is sourced from PubChem (CID 133273980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).