(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

C16H18BrClN4O2 — CID 95754607

IUPAC(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(Br)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1C
InChIInChI=1S/C16H18BrClN4O2/c1-20-16(24-2)13(17)14(19-20)15(23)22-9-7-21(8-10-22)12-5-3-11(18)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyRWBQZTRFKIMABN-UHFFFAOYSA-N
MW413.70 g/mol
LogP2.81
Rot. Bonds3

About (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone

(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 95754607) has the molecular formula C16H18BrClN4O2 and a molecular weight of 413.70 g/mol. Its IUPAC name is (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
PubChem CID95754607
Molecular FormulaC16H18BrClN4O2
Molecular Weight413.70 g/mol
Exact Mass412.03
IUPAC Name(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
SMILESCOc1c(Br)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1C
InChIInChI=1S/C16H18BrClN4O2/c1-20-16(24-2)13(17)14(19-20)15(23)22-9-7-21(8-10-22)12-5-3-11(18)4-6-12/h3-6H,7-10H2,1-2H3
InChIKeyRWBQZTRFKIMABN-UHFFFAOYSA-N
XLogP2.81
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.70
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754580
(3,6-dichloro-2-pyridinyl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 51148520
(3-tert-butyl-1-methylpyrazol-5-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 95754590
[4-(4-methoxyphenyl)piperazin-1-yl]-(1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl)methanone
CID 110389062
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
[4-(4-chlorophenyl)piperazin-1-yl]-(1-propylpyrazol-3-yl)methanone
CID 95754518
(3-bromothiophen-2-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone
CID 60790381
[3-(4-methoxyphenyl)-1-methylpyrazol-5-yl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 42759712
[4-(4-chlorophenyl)piperazin-1-yl]-(4-methylthieno[3,2-b]pyrrol-5-yl)methanone
CID 20877123
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
2-bromo-1-[4-(4-chlorophenyl)piperazin-1-yl]propan-1-one
CID 15786018
3-[4-(4-acetylphenyl)piperazine-1-carbonyl]-1-(4-chlorophenyl)-6-methylpyridazin-4-one
CID 27674642

Frequently Asked Questions

What is the IUPAC name of (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone (CID 95754607) is (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is COc1c(Br)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)nn1C.
What is the InChIKey of (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is RWBQZTRFKIMABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrClN4O2/c1-20-16(24-2)13(17)14(19-20)15(23)22-9-7-21(8-10-22)12-5-3-11(18)4-6-12/h3-6H,7-10H2,1-2H3.
What are the key properties of (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone?
(4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone has a molecular weight of 413.70 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-5-methoxy-1-methylpyrazol-3-yl)-[4-(4-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 95754607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).