[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

C14H15BrN4O3 — CID 1001029

IUPAC[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1ncc(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15BrN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeyCWKJWEMIWMROOM-UHFFFAOYSA-N
MW367.20 g/mol
LogP1.37
Rot. Bonds2

About [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 1001029) has the molecular formula C14H15BrN4O3 and a molecular weight of 367.20 g/mol. Its IUPAC name is [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID1001029
Molecular FormulaC14H15BrN4O3
Molecular Weight367.20 g/mol
Exact Mass366.03
IUPAC Name[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESCn1ncc(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C14H15BrN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3
InChIKeyCWKJWEMIWMROOM-UHFFFAOYSA-N
XLogP1.37
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 1001029) is [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is Cn1ncc(Br)c1C(=O)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CWKJWEMIWMROOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O3/c1-17-12(10(15)9-16-17)14(21)19-6-4-18(5-7-19)13(20)11-3-2-8-22-11/h2-3,8-9H,4-7H2,1H3.
What are the key properties of [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 367.20 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-bromo-1-methylpyrazole-5-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 1001029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).