(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone

C16H15BrN4O2 — CID 3848557

IUPAC(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCN2C(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H15BrN4O2/c1-11-9-19-14(10-18-11)16(23)21-8-2-7-20(21)15(22)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeySUDSZQZYTNTNGN-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.45
Rot. Bonds2

About (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone

(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone (PubChem CID 3848557) has the molecular formula C16H15BrN4O2 and a molecular weight of 375.23 g/mol. Its IUPAC name is (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone
PubChem CID3848557
Molecular FormulaC16H15BrN4O2
Molecular Weight375.23 g/mol
Exact Mass374.04
IUPAC Name(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone
SMILESCc1cnc(C(=O)N2CCCN2C(=O)c2ccc(Br)cc2)cn1
InChIInChI=1S/C16H15BrN4O2/c1-11-9-19-14(10-18-11)16(23)21-8-2-7-20(21)15(22)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8H2,1H3
InChIKeySUDSZQZYTNTNGN-UHFFFAOYSA-N
XLogP2.45
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone (CID 3848557) is (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone is Cc1cnc(C(=O)N2CCCN2C(=O)c2ccc(Br)cc2)cn1.
What is the InChIKey of (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone?
The InChIKey is SUDSZQZYTNTNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN4O2/c1-11-9-19-14(10-18-11)16(23)21-8-2-7-20(21)15(22)12-3-5-13(17)6-4-12/h3-6,9-10H,2,7-8H2,1H3.
What are the key properties of (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone?
(4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone has a molecular weight of 375.23 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[2-(5-methylpyrazine-2-carbonyl)pyrazolidin-1-yl]methanone is sourced from PubChem (CID 3848557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).