4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

C19H18N4O3 — CID 126766377

IUPAC4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2=O)cn1
InChIInChI=1S/C19H18N4O3/c1-21-11-17(10-20-21)23-7-6-22(12-18(23)24)19(25)15-4-2-3-14(9-15)16-5-8-26-13-16/h2-5,8-11,13H,6-7,12H2,1H3
InChIKeyLTBOVVUJPAOOGA-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.17
Rot. Bonds3

About 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one

4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 126766377) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
PubChem CID126766377
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
SMILESCn1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2=O)cn1
InChIInChI=1S/C19H18N4O3/c1-21-11-17(10-20-21)23-7-6-22(12-18(23)24)19(25)15-4-2-3-14(9-15)16-5-8-26-13-16/h2-5,8-11,13H,6-7,12H2,1H3
InChIKeyLTBOVVUJPAOOGA-UHFFFAOYSA-N
XLogP2.17
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-methylpyrazol-4-yl)-4-(5-methyl-1,3,4-thiadiazole-2-carbonyl)piperazin-2-one
CID 127850919
1-(1-methylpyrazol-4-yl)-4-(2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-2-one
CID 99818804
(3-aminophenyl)-[4-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone;dihydrochloride
CID 119887331
N-(3-ethylphenyl)-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71976492
N-[(3-chlorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboxamide
CID 71924052
[3-(1-methylpyrazol-4-yl)phenyl]-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
CID 139019991
4-[2-(4-fluorophenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126789765
4-[2-(4-methoxyphenyl)-1,3-thiazole-4-carbonyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 126791529
4-[(2S)-2-(dimethylamino)-3-methylbutanoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 154739436
4-(3-amino-3-phenylpropanoyl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
CID 119951749
3-[[[ethylamino-[4-(1-methylpyrazol-4-yl)-3-oxopiperazin-1-yl]methylidene]amino]methyl]benzamide;hydroiodide
CID 109435800
N-[[1-(3-bromophenyl)cyclopropyl]methyl]-N'-methyl-4-(1-methylpyrazol-4-yl)-3-oxopiperazine-1-carboximidamide
CID 109434369

Frequently Asked Questions

What is the IUPAC name of 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The IUPAC name of 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 126766377) is 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one.
What is the SMILES notation for 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The canonical SMILES for 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is Cn1cc(N2CCN(C(=O)c3cccc(-c4ccoc4)c3)CC2=O)cn1.
What is the InChIKey of 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
The InChIKey is LTBOVVUJPAOOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-21-11-17(10-20-21)23-7-6-22(12-18(23)24)19(25)15-4-2-3-14(9-15)16-5-8-26-13-16/h2-5,8-11,13H,6-7,12H2,1H3.
What are the key properties of 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one?
4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 350.38 g/mol, XLogP of 2.17, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(furan-3-yl)benzoyl]-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 126766377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).