1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

C16H22N4O2 — CID 19536190

IUPAC1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)C(=O)N2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C16H22N4O2/c1-13-10-17-20(11-13)14(2)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyFZOBPUSIFPZREW-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.69
Rot. Bonds4

About 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one

1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (PubChem CID 19536190) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
PubChem CID19536190
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one
SMILESCc1cnn(C(C)C(=O)N2CCN(Cc3ccco3)CC2)c1
InChIInChI=1S/C16H22N4O2/c1-13-10-17-20(11-13)14(2)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,14H,5-8,12H2,1-2H3
InChIKeyFZOBPUSIFPZREW-UHFFFAOYSA-N
XLogP1.69
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethyl)-2-(4-methylpyrazol-1-yl)propanamide
CID 19534412
2-(4-methylpyrazol-1-yl)-1-[4-(2-morpholin-4-ylethyl)-1,4-diazepan-1-yl]propan-1-one
CID 134713768
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-diphenylethanone
CID 1131695
(2R)-2-(4-chloropyrazol-1-yl)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 95895449
1-(aziridin-1-yl)-2-(4-bromopyrazol-1-yl)propan-1-one
CID 130734809
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 17249414
2-(4-bromopyrazol-1-yl)-1-[4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]piperazin-1-yl]propan-1-one
CID 19331736
(2S)-2-amino-1-[4-(furan-2-ylmethyl)piperazin-1-yl]-4-methylsulfanylbutan-1-one
CID 61165609
[4-(furan-2-ylmethyl)piperazin-1-yl]-[5-(4-methylphenyl)-1,2-oxazol-3-yl]methanone
CID 19572528
1-[4-(furan-2-ylmethyl)piperazin-1-yl]butane-1,3-dione
CID 54876665
2-bromo-1-[4-(furan-2-ylmethyl)piperazin-1-yl]ethanone
CID 63680467
(2R)-2-[4-(furan-2-ylmethyl)piperazin-1-yl]-N-(4-methylphenyl)propanamide
CID 30724914

Frequently Asked Questions

What is the IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one (CID 19536190) is 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is Cc1cnn(C(C)C(=O)N2CCN(Cc3ccco3)CC2)c1.
What is the InChIKey of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
The InChIKey is FZOBPUSIFPZREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-13-10-17-20(11-13)14(2)16(21)19-7-5-18(6-8-19)12-15-4-3-9-22-15/h3-4,9-11,14H,5-8,12H2,1-2H3.
What are the key properties of 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one?
1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one has a molecular weight of 302.38 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-ylmethyl)piperazin-1-yl]-2-(4-methylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 19536190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).