(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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Related Compounds

methyl 6-[2-(5-methylpyrazine-2-carbonyl)pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3777676
[2-(4-bromophenyl)-1,3-thiazolidin-3-yl]-(5-methylpyrazin-2-yl)methanone
CID 122329069
methyl 6-[2-[2-(5-bromo-3-pyridinyl)acetyl]pyrazolidine-1-carbonyl]pyridine-3-carboxylate
CID 3814607
2-(5-methylpyrazine-2-carbonyl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997269
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
[4-(pyrrolidine-1-carbonyl)phenyl]methyl 5-methylpyrazine-2-carboxylate
CID 32970535
5-methylpyrazine-2-carboxylic acid;1,4-xylene
CID 174881923
(5-methylpyrazin-2-yl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334455
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
[2-(5-methyl-2-phenyltriazole-4-carbonyl)pyrazolidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 3698286
(5-hydroxy-2-methylphenyl)-[4-(5-methylpyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 134709944

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).