(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C15H16BrClN4O — CID 1022890

IUPAC(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H16BrClN4O/c1-19-10-13(16)14(18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(17)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyGERUVBUWSFKEFX-UHFFFAOYSA-N
MW383.68 g/mol
LogP2.80
Rot. Bonds2

About (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 1022890) has the molecular formula C15H16BrClN4O and a molecular weight of 383.68 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID1022890
Molecular FormulaC15H16BrClN4O
Molecular Weight383.68 g/mol
Exact Mass382.02
IUPAC Name(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESCn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H16BrClN4O/c1-19-10-13(16)14(18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(17)9-12/h2-4,9-10H,5-8H2,1H3
InChIKeyGERUVBUWSFKEFX-UHFFFAOYSA-N
XLogP2.80
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.68
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Chloro-2-methylpyrazol-3-yl)-(4-phenylpiperazin-1-yl)methanone
CID 6464474
4-bromo-N-(3-chloro-4-fluorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 755380
N-(3-chlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 891989
4-chloro-N-(3-chlorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903329
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-(4-phenethylpiperazin-1-yl)methanone
CID 24811301
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-chlorophenyl)-ethyl]piperazin-1-yl}methanone
CID 24812462
4-bromo-N-(2,4-dichlorophenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1301790
4-(3,4-Dichlorophenyl)piperazinyl 4-chloro-1-methylpyrazol-5-yl ketone
CID 6464729
1-[2-(4-chloroanilino)-2-oxoethyl]-N-(1-propan-2-ylpiperidin-4-yl)pyrazole-3-carboxamide
CID 168283878
[4-(3-Chlorophenyl)piperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 6466864
4-(2-Chlorophenyl)piperazinyl 1-methylpyrazol-5-yl ketone
CID 6468388
N-(3,5-dichlorophenyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 841172

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 1022890) is (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is Cn1cc(Br)c(C(=O)N2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is GERUVBUWSFKEFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClN4O/c1-19-10-13(16)14(18-19)15(22)21-7-5-20(6-8-21)12-4-2-3-11(17)9-12/h2-4,9-10H,5-8H2,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 383.68 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1022890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).