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

C18H20N6O2 — CID 133273983

IUPAC[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCc1cc(C)n(-c2cncc(N3CCN(C(=O)c4ccoc4)CC3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-13-9-14(2)24(21-13)17-11-19-10-16(20-17)22-4-6-23(7-5-22)18(25)15-3-8-26-12-15/h3,8-12H,4-7H2,1-2H3
InChIKeyJXQCFEUZQQBVOH-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.83
Rot. Bonds3

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

[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 133273983) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID133273983
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESCc1cc(C)n(-c2cncc(N3CCN(C(=O)c4ccoc4)CC3)n2)n1
InChIInChI=1S/C18H20N6O2/c1-13-9-14(2)24(21-13)17-11-19-10-16(20-17)22-4-6-23(7-5-22)18(25)15-3-8-26-12-15/h3,8-12H,4-7H2,1-2H3
InChIKeyJXQCFEUZQQBVOH-UHFFFAOYSA-N
XLogP1.83
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2-chloro-4-fluorophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]methanone
CID 133284692
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-methylpiperazin-1-yl)pyrazine
CID 133273834
1-[4-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-3-fluorophenyl]ethanone
CID 133273937
2-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)pyrazine
CID 133273839
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-N-ethylacetamide
CID 133273980
(3-bromophenyl)-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazin-1-yl]methanone
CID 121072286
2-(3,5-dimethylpyrazol-1-yl)-6-(4-methylpiperidin-1-yl)pyrazine
CID 133273860
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]benzonitrile
CID 133284867
furan-3-yl-[4-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91631637
furan-3-yl-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]methanone
CID 32532619
4-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-4-yl]piperazine-1-carbonyl]benzonitrile
CID 122338002

Frequently Asked Questions

What is the IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone (CID 133273983) is [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone is Cc1cc(C)n(-c2cncc(N3CCN(C(=O)c4ccoc4)CC3)n2)n1.
What is the InChIKey of [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is JXQCFEUZQQBVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-13-9-14(2)24(21-13)17-11-19-10-16(20-17)22-4-6-23(7-5-22)18(25)15-3-8-26-12-15/h3,8-12H,4-7H2,1-2H3.
What are the key properties of [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 133273983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).