(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

C14H15BrN4O3 — CID 20910896

IUPAC(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)n[nH]1
InChIInChI=1S/C14H15BrN4O3/c1-9-8-10(17-16-9)13(20)18-4-6-19(7-5-18)14(21)11-2-3-12(15)22-11/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyJUAOEOSAZKSOSA-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.67
Rot. Bonds2

About (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone

(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 20910896) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID20910896
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)n[nH]1
InChIInChI=1S/C14H15BrN4O3/c1-9-8-10(17-16-9)13(20)18-4-6-19(7-5-18)14(21)11-2-3-12(15)22-11/h2-3,8H,4-7H2,1H3,(H,16,17)
InChIKeyJUAOEOSAZKSOSA-UHFFFAOYSA-N
XLogP1.67
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20910898
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1-[4-(5-bromofuran-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 60702023
(5-bromofuran-2-yl)-[4-[3-(4-fluorophenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910900
azepan-1-yl-(5-bromofuran-2-yl)methanone
CID 750410
1-[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 39492865
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908
[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-(4-phenylphenyl)methanone
CID 110328575
[4-(5-bromofuran-2-carbonyl)piperazin-1-yl]-(4-fluorophenyl)methanone
CID 39493722
(5-bromofuran-2-yl)-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]methanone
CID 32823800
2-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 87021241

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 20910896) is (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is Cc1cc(C(=O)N2CCN(C(=O)c3ccc(Br)o3)CC2)n[nH]1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is JUAOEOSAZKSOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c1-9-8-10(17-16-9)13(20)18-4-6-19(7-5-18)14(21)11-2-3-12(15)22-11/h2-3,8H,4-7H2,1H3,(H,16,17).
What are the key properties of (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 367.20 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[4-(5-methyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20910896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).