4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C17H22N4O2 — CID 97159814

IUPAC4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESC[C@H]1C[C@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1
InChIInChI=1S/C17H22N4O2/c1-12-7-15(12)16-4-3-14(23-16)10-20-5-6-21(17(22)11-20)13-8-18-19(2)9-13/h3-4,8-9,12,15H,5-7,10-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyBTKAZIBEHGHFEV-SWLSCSKDSA-N
MW314.39 g/mol
LogP1.99
Rot. Bonds4

About 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 97159814) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID97159814
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESC[C@H]1C[C@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1
InChIInChI=1S/C17H22N4O2/c1-12-7-15(12)16-4-3-14(23-16)10-20-5-6-21(17(22)11-20)13-8-18-19(2)9-13/h3-4,8-9,12,15H,5-7,10-11H2,1-2H3/t12-,15+/m0/s1
InChIKeyBTKAZIBEHGHFEV-SWLSCSKDSA-N
XLogP1.99
TPSA54.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one with MolForge

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Related Compounds

4-[[3-(4-methylphenyl)-1,2-oxazol-5-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 166226934
4-[[4-(hydroxymethyl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 110009222
4-[(5-fluoro-2-methylphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 122138686
3-[[4-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 97159928
4-[(4-tert-butyl-1,3-oxazol-2-yl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 167859840
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-2-phenyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916450
4-[(2-fluoro-5-methoxyphenyl)methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126796157
2-cyclohexyl-6-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916463
1-(1-methylpyrazol-4-yl)-4-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]piperazin-2-one
CID 126776840
2,2-dimethyl-4-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1,4-thiazinane 1,1-dioxide
CID 97160160
1-(1-methylpyrazol-4-yl)-4-[[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methyl]piperazin-2-one
CID 120916491

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 97159814) is 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is C[C@H]1C[C@H]1c1ccc(CN2CCN(c3cnn(C)c3)C(=O)C2)o1.
What is the InChIKey of 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is BTKAZIBEHGHFEV-SWLSCSKDSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-12-7-15(12)16-4-3-14(23-16)10-20-5-6-21(17(22)11-20)13-8-18-19(2)9-13/h3-4,8-9,12,15H,5-7,10-11H2,1-2H3/t12-,15+/m0/s1.
What are the key properties of 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 314.39 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(1R,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 97159814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).