[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

C19H19BrN6O2 — CID 86958883

IUPAC[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC2)n1
InChIInChI=1S/C19H19BrN6O2/c1-28-18-12-21-11-17(23-18)24-6-8-25(9-7-24)19(27)14-10-22-26(13-14)16-4-2-15(20)3-5-16/h2-5,10-13H,6-9H2,1H3
InChIKeyHVGISZDGYTXRMW-UHFFFAOYSA-N
MW443.31 g/mol
LogP2.40
Rot. Bonds4

About [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone

[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 86958883) has the molecular formula C19H19BrN6O2 and a molecular weight of 443.31 g/mol. Its IUPAC name is [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID86958883
Molecular FormulaC19H19BrN6O2
Molecular Weight443.31 g/mol
Exact Mass442.08
IUPAC Name[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
SMILESCOc1cncc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC2)n1
InChIInChI=1S/C19H19BrN6O2/c1-28-18-12-21-11-17(23-18)24-6-8-25(9-7-24)19(27)14-10-22-26(13-14)16-4-2-15(20)3-5-16/h2-5,10-13H,6-9H2,1H3
InChIKeyHVGISZDGYTXRMW-UHFFFAOYSA-N
XLogP2.40
TPSA76.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[1-(4-bromophenyl)pyrazole-4-carbonyl]piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 55774534
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958790
(1-phenylpyrazol-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024013
furan-2-yl-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 171690760
(6-bromo-4-fluoro-1H-indol-2-yl)-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958830
[1-(4-bromophenyl)pyrazol-4-yl]-(1,4-diazepan-1-yl)methanone;hydrochloride
CID 119417965
[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone
CID 86958860
N-(4-bromophenyl)-2-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]propanamide
CID 86959706
1-[4-[4-[1-(4-chlorophenyl)pyrazole-4-carbonyl]piperazin-1-yl]phenyl]ethanone
CID 55770613
(2R,3R)-1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-2-methylpiperidine-3-carboxylic acid
CID 122115497
[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(1-phenylpyrazol-4-yl)methanone
CID 17428329
1-[1-(4-bromophenyl)pyrazole-4-carbonyl]-3-fluoropyrrolidine-3-carboxylic acid
CID 119258108

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone (CID 86958883) is [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is COc1cncc(N2CCN(C(=O)c3cnn(-c4ccc(Br)cc4)c3)CC2)n1.
What is the InChIKey of [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is HVGISZDGYTXRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6O2/c1-28-18-12-21-11-17(23-18)24-6-8-25(9-7-24)19(27)14-10-22-26(13-14)16-4-2-15(20)3-5-16/h2-5,10-13H,6-9H2,1H3.
What are the key properties of [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone?
[1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 443.31 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)pyrazol-4-yl]-[4-(6-methoxypyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 86958883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).