2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

C21H26N6O2 — CID 90508025

IUPAC2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H26N6O2/c1-16-21(17(2)27(24-16)19-7-3-4-8-22-19)26-11-9-25(10-12-26)15-20(28)23-14-18-6-5-13-29-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyNZGWGFXLGAWKTE-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.92
Rot. Bonds6

About 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide

2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (PubChem CID 90508025) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
PubChem CID90508025
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(-c2ccccn2)c(C)c1N1CCN(CC(=O)NCc2ccco2)CC1
InChIInChI=1S/C21H26N6O2/c1-16-21(17(2)27(24-16)19-7-3-4-8-22-19)26-11-9-25(10-12-26)15-20(28)23-14-18-6-5-13-29-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,28)
InChIKeyNZGWGFXLGAWKTE-UHFFFAOYSA-N
XLogP1.92
TPSA79.43 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 90508035
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N,N-diethylacetamide
CID 90508038
4-[[2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]acetyl]amino]benzamide
CID 90508037
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 90508032
N-benzyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508109
N-tert-butyl-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine-1-carboxamide
CID 90508088
N-(furan-2-ylmethyl)-2-(4-propan-2-ylpiperazin-1-yl)acetamide
CID 34773300
1-[(4-chlorophenyl)methyl]-4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazine
CID 90508059
N-(furan-2-ylmethyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]acetamide
CID 9102139
3-cyclopentyl-1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]propan-1-one
CID 90507766
1-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-2-phenoxyethanone
CID 90507824
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide (CID 90508025) is 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is Cc1nn(-c2ccccn2)c(C)c1N1CCN(CC(=O)NCc2ccco2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
The InChIKey is NZGWGFXLGAWKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-16-21(17(2)27(24-16)19-7-3-4-8-22-19)26-11-9-25(10-12-26)15-20(28)23-14-18-6-5-13-29-18/h3-8,13H,9-12,14-15H2,1-2H3,(H,23,28).
What are the key properties of 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide?
2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1-pyridin-2-ylpyrazol-4-yl)piperazin-1-yl]-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 90508025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).