[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

C16H19BrN4O — CID 120572952

IUPAC[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1C
InChIInChI=1S/C16H19BrN4O/c1-11-12(2)20(8-7-18-11)16(22)13-9-19-21(10-13)15-5-3-14(17)4-6-15/h3-6,9-12,18H,7-8H2,1-2H3
InChIKeyHVZOMHAPOUNHHD-UHFFFAOYSA-N
MW363.26 g/mol
LogP2.46
Rot. Bonds2

About [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone

[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (PubChem CID 120572952) has the molecular formula C16H19BrN4O and a molecular weight of 363.26 g/mol. Its IUPAC name is [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
PubChem CID120572952
Molecular FormulaC16H19BrN4O
Molecular Weight363.26 g/mol
Exact Mass362.07
IUPAC Name[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone
SMILESCC1NCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1C
InChIInChI=1S/C16H19BrN4O/c1-11-12(2)20(8-7-18-11)16(22)13-9-19-21(10-13)15-5-3-14(17)4-6-15/h3-6,9-12,18H,7-8H2,1-2H3
InChIKeyHVZOMHAPOUNHHD-UHFFFAOYSA-N
XLogP2.46
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The IUPAC name of [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone (CID 120572952) is [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is CC1NCCN(C(=O)c2cnn(-c3ccc(Br)cc3)c2)C1C.
What is the InChIKey of [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
The InChIKey is HVZOMHAPOUNHHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O/c1-11-12(2)20(8-7-18-11)16(22)13-9-19-21(10-13)15-5-3-14(17)4-6-15/h3-6,9-12,18H,7-8H2,1-2H3.
What are the key properties of [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone?
[1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone has a molecular weight of 363.26 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)pyrazol-4-yl]-(2,3-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 120572952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).