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

C16H17BrN4O3 — CID 20910898

IUPAC(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H17BrN4O3/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)12-9-11(18-19-12)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,19)
InChIKeyWFVDZEHVXOBPNT-UHFFFAOYSA-N
MW393.24 g/mol
LogP2.24
Rot. Bonds3

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

(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 20910898) has the molecular formula C16H17BrN4O3 and a molecular weight of 393.24 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
PubChem CID20910898
Molecular FormulaC16H17BrN4O3
Molecular Weight393.24 g/mol
Exact Mass392.05
IUPAC Name(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)c2ccc(Br)o2)CC1
InChIInChI=1S/C16H17BrN4O3/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)12-9-11(18-19-12)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,19)
InChIKeyWFVDZEHVXOBPNT-UHFFFAOYSA-N
XLogP2.24
TPSA82.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.24
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone (CID 20910898) is (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is O=C(c1cc(C2CC2)[nH]n1)N1CCN(C(=O)c2ccc(Br)o2)CC1.
What is the InChIKey of (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is WFVDZEHVXOBPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O3/c17-14-4-3-13(24-14)16(23)21-7-5-20(6-8-21)15(22)12-9-11(18-19-12)10-1-2-10/h3-4,9-10H,1-2,5-8H2,(H,18,19).
What are the key properties of (5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone?
(5-bromofuran-2-yl)-[4-(5-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 393.24 g/mol, XLogP of 2.24, 3 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-cyclopropyl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 20910898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).