[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

C19H18N4O3 — CID 32532341

IUPAC[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H18N4O3/c24-18(15-2-4-17(5-3-15)23-8-1-7-20-23)21-9-11-22(12-10-21)19(25)16-6-13-26-14-16/h1-8,13-14H,9-12H2
InChIKeyDPEOMPNQXGCLLB-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.06
Rot. Bonds3

About [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone

[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (PubChem CID 32532341) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
PubChem CID32532341
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
SMILESO=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C19H18N4O3/c24-18(15-2-4-17(5-3-15)23-8-1-7-20-23)21-9-11-22(12-10-21)19(25)16-6-13-26-14-16/h1-8,13-14H,9-12H2
InChIKeyDPEOMPNQXGCLLB-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

piperazin-1-yl-(4-pyrazol-1-ylphenyl)methanone;hydrochloride
CID 119401221
(3-hydroxyazetidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 55176659
4-(4-pyrazol-1-ylbenzoyl)piperazine-2,6-dione
CID 66083192
N-methyl-1-(4-pyrazol-1-ylbenzoyl)piperidine-4-carboxamide
CID 43064091
[4-(2,6-difluorophenyl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 31927908
furan-3-yl-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 43048919
[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 134063596
(4-hydroxy-3-methylpiperidin-1-yl)-(4-pyrazol-1-ylphenyl)methanone
CID 114680189
1-(4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 63005917
[4-[2-(difluoromethoxy)benzoyl]piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 46434761
[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 24680723
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(4-pyrazol-1-ylphenyl)methanone
CID 9462299

Frequently Asked Questions

What is the IUPAC name of [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone (CID 32532341) is [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is O=C(c1ccc(-n2cccn2)cc1)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
The InChIKey is DPEOMPNQXGCLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-18(15-2-4-17(5-3-15)23-8-1-7-20-23)21-9-11-22(12-10-21)19(25)16-6-13-26-14-16/h1-8,13-14H,9-12H2.
What are the key properties of [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone?
[4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone has a molecular weight of 350.38 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(furan-3-carbonyl)piperazin-1-yl]-(4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 32532341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).